Publicity / 언론매체 소개

  • [2004] 본 연수실 이근우교수의 AIDS 치료제 관련연구가 세계최대학회인 미국화학회(ACS)에서 금주의 논문으로 선정. ( PDF )
    (No. 10 JMC paper was publicized at American Chemical Society (ACS) magazine, Chemical & Engineering News, as the hottest scientific results in this week.)



International (US) Patents / 국제(미국)특허
  • 1. A. Volkov, C. Colbert, I. Pan, A. Kraltcheva, M. Reddy, N. Battulga, M. Rea, K. W. Lee, B. Mulder, S. Hardin "Method for Analyzing Dynamic Detectable Events at the Single Molecular Level." US Patent No. US7668697 (23-Feb-2010) [ PDF ]
  • 2. S. A. Martinis, J. M. Briggs, R. S. Mursinna, K. W. Lee, T. L. Lincecum, C. Davis, M. Cui, A. M. Williams, J. A. Speidel, Y. Zhai "Method and Composition for Leucyl-tRNA Synthetases and Derivatives thereof That Activate and Aminoacylate Non-Leucine Amino Acids to tRNA Adaptor Molecules." US Patent No. US7785827 (31-Aug-2010) [ PDF ]



Research Papers / 연구논문 (IF : IF from JCR (Mini IF List )


Journal Lists:

  • Clinical Pharmacology and Therapeutics (IF: 7.6)
  • Nucleic Acids Research (IF: 7.0)
  • Journal of Biological Chemistry (IF: 5.6)
  • Journal of Biomolecular Structure & Dynamics (IF:5.0)
  • Bioresource Technology (IF:5.0)
  • Journal Medicinal Chemistry (IF: 4.9)
  • Molecular Pharmacology (IF: 4.9)
  • Journal of Chemical Information and Modeling (IF: 4.7)
  • Biophysical Journal (IF: 4.6)
  • PLoS One (IF: 4.1)
  • BBA-Biomembranes (IF: 4.0)
  • ChemBioChem (IF: 3.8)
  • Journal of Computer-Aided Molecular Design (IF: 3.6)
  • Journal of Raman Spectroscopy (IF: 3.5)
  • Plant Molecular Biology (IF: 3.5)
  • Biochemistry (IF: 3.4)
  • PROTEINS: Structure, Function and Bioinformatics (IF: 3.4)
  • European Journal of Medicinal Chemistry (IF:3.2)
  • BMC Bioinformatics (IF: 3.0)
  • Protein Engineering Design and Selection (IF: 2.9)
  • Bioorganic & Medicinal Chemistry Letters (IF:2.6)
  • International Journal of Molecular Sciences (IF:2.6)
  • Future Medicinal Chemistry (IF:2.5)
  • Chemical Biology & Drug Design (IF:2.5)
  • Journal of Molecular Graphics and Modeling (IF:2.2)
  • Acta Pharmacologica Sinica (IF:2.0)
  • Biophysical Chemistry (IF:1.9)
  • Journal of Molecular Modeling (IF:1.8)
  • Journal of Enzymes Inhibition and Medicinal Chemistry (IF:1.6)
  • Journal of Molecular Structure (IF:1.6)
  • Journal of the Taiwan Institute of Chemical Engineers (IF: 1.3)
  • Molecular Simulation (IF:1.3)
  • Archives of Pharmacal Research (IF: 1.1)
  • Bulletin of the Korean Chemical Society (IF:1.0)
  • Interdisciplinary Bio Central (IF: )
  • Journal of Bioinformatics and Computational Biology (IF:)
  • Journal of the Korean Magnetic Resonance Society (IF:)
  • Bioinformatics and Biosystems (IF:)


2014 (10 SCI so far / [ ] for in press)

  • [121]. S. Sakkiah, M. Arooj, K. W. Lee, J. Z. Torres, “Theoretical Approaches to Identify the Potent Scaffold for Human Sirtuin 1 Activator: Bayesian Modeling and Density Functional Theory” Medicinal Chemistry Research (in press) [ PDF ] (IF2012: ).
  • [120]. S. Sakkiah, S. Senese, Q. Yang, K. W. Lee, J. Z. Torres, “Dynamic and Multi-pharmacophore Modeling for Designing Polo-box Domain Inhibitors” PLoS One (in press) [ PDF ] (IF2012: 3.73).
  • [119]. M. Arooj, K. W. Lee, "Binding mode analysis of dual inhibitors of human thymidylate synthase and dihydrofolate reductase as antitumour agents via molecular docking and DFT studies." Molecular Simulation (in press) [ PDF ] (IF2012: 1.056).
  • 118. Y. Lee, J. J. Lee, S. Kim, S. C. Lee, J. Han, W. Heu, K. Park, H. J. Kim, H. K. Cheong, D. Kim, H. S. Kim, K. W. Lee, "Dissecting the Critical Factors for Thermodynamic Stability of Modular Proteins Using Molecular Modeling Approach." PLoS One 9(5), e98243 (2014.05) [ PDF ] (IF2012: 3.73).
  • 117. S. S. Ghatge, A. A. Telke, S. H. Kang, V. Arulalapperumal, K. W. Lee, S. P. Govindwar, Y. Um, D. B. Oh, H. D. Shin, S. W. Kim, "Characterization of modular bifunctional processive endoglucanase Cel5 from Hahella chejuensis KCTC 2396." Applied Microbiology and Biotechnology 98(10), 4421-4435 (2014.05) [ PDF ] (IF2012: 3.689).
  • 116. M. Son, W. Y. Bang, C. Park, Y. Lee, S. G. Kwon, S. W. Kim, C. W. Kim, K. W. Lee, "Functional Mechanism of C-terminal Tail in the Enzymatic Role of Porcine Testicular Carbonyl Reductase: a combined experiment and molecular dynamics simulation study of the C-terminal tail in the enzymatic role of PTCR." PLoS One 9(3), e90712 (2014.03) [ PDF ] (IF2012: 3.73).
  • 115. S. Sakkiah, V. Arulalapperumal, S. Hwang, K. W. Lee, "Ligand-based Pharmacophore Modeling and Bayesian Approaches to Identify c-Src Inhibitors." Journal of Enzyme Inhibition and Medicinal Chemistry 29(1), 69-80 (2014.02) [ PDF ] (IF2012: 1.495).
  • 114. S. John, S. Thangapandian, P. Lazar, M. Son, C. Park, K. W. Lee, "New insights in the activation of human cholesterol esterase to design potent anti-cholesterol drugs." Molecular Diversity 18(1), 119-131 (2014.02) [ PDF ] (IF2012: 2.861).
  • 113. J. Chen, W. Y. Bang, Y. Lee, S. Kim, K. W. Lee, S. W. Kim, Y. S. Son, D. W. Kim, S. Akhter, J. D. Bahk, "AtObgC-AtRSH1 interaction may play a vital role in stress response signal transduction in Arabidopsis." Plant Physiology and Biochemistry 74, 176-184 (2014.01) [ PDF ] (IF2012: 2.775).
  • 112. Y. Lee, S. Kim, J. Y. Kim, M. Arooj, S. Kim, S. Hwang, B. W. Kim, K. H. Park, K. W. Lee, "Binding Mode Analyses and Pharmacophore Model Development for Stilbene Derivatives as a Novel and Competitive Class of a-Glucosidase Inhibitors." PLoS One 9(1), e85827 (2014.01) [ PDF ] (IF2012: 3.73).

2013 (16 = 13 SCI + 3 ISI)

  • 111. M. Son, A. Baek, S. Sakkiah, C. Park. S. John, K. W. Lee, "Exploration of Virtual Candidates for Human HMG-CoA Reductase Inhibitors Using Pharmacophore Modeling and Molecular Dynamics Simulations." PLoS One 8(12), e83496 (2013.12) [ PDF ] (IF2012: 3.73).
  • 110. Y. J. Jung, Y. H. Chi, H. B. Chae, M. R. Shin, E. S. Lee, J. Y. Cha, S. K. Paeng, Y. Lee, J. H. Park, W. Y. Kim, C. H. Kang, K. O. Lee, K. W. Lee, D. J. Yun, S. Y. Lee, "Analysis of Arabidopsis thioredoxin-h isotypes identifies discrete domains that confer specific structural and functional properties." Biochemical Journal 456(1), 13-24 (2013.11) [ PDF ] (IF2012: 4.654).
  • 109. Y. Sohn, C. Park, Y. Lee, S. Kim, S. Thangapandian, Y. Kim, H. H. Kim, J. K. Sub, K. W. Lee, "Multi-conformation dynamic pharmacophore modeling of theperoxisome proliferator-activated receptor  for the discovery ofnovel agonists." Journal of Molecular Graphics & Modelling 46(.), 1-9 (2013.11) [ PDF ] (IF2012: 2.325).
  • 108. S. Hwang, S. Thangapandian, K. W. Lee, "Molecular Dynamics Simulations of Sonic Hedgehog-Receptor and Inhibitor Complexes and Their Applications for Potential Anticancer Agent Discovery." PLoS One 8(7), e68271 (2013.07) [ PDF ] (IF2012: 3.73).
  • 107. S. Lee, Y. Lee, James M. Briggs, K. W. Lee, "Pharmacophore Models of Paclitaxel- and Epothilone-Based Microtubule Stabilizing Agents." Bulletin of the Korean Chemical Society 34(7), 1972-1984 (2013.07) [ PDF ] (IF2012: 0.982).
  • 106. M. Arooj, S. Sakkiah, S. Sakkiah, V. Arulalapperumal, K. W. Lee, "A Combination of Receptor-Based Pharmacophore Modeling & QM Techniques for Identification of Human Chymase Inhibitors." PLoS One 8(4), e63030 (2013.04) [ PDF ] (IF2012: 3.73).
  • 105. M. Arooj, S. Kim, S. Sakkiah, G. Cao, Y. Lee, K. W. Lee, "Molecular Modeling Study for Inhibition Mechanism of Human Chymase and Its Application in Inhibitor Design." PLoS One 8(4), e62740 (2013.04) [ PDF ] (IF2012: 3.73).
  • 104. M. Arooj, S. Sakkiah, G. Cao, K. W. Lee, "An Innovative Strategy for Dual Inhibitor Design and Its Application in Dual Inhibition of Human Thymidylate Synthase and Dihydrofolate Reductase Enzymes." PLoS One 8(4), e60470 (2013.04) [ PDF ] (IF2012: 3.73).
  • 103. S. Sakkiah, M. Arooj, G. Cao, K. W. Lee, "Insight the C-Site Pocket Conformational Changes Responsible for Sirtuin 2 Activity Using Molecular Dynamics Simulations." PLoS One 8(3), e59278 (2013.03) [ PDF ] (IF2012: 3.73).
  • 102. S. Kim, Y. Lee, H-M. Tak, H-J. Park, Y-S. Sohn, S. Hwang, J. Han, D. Kang, K. W. Lee, "Identification of blocker binding site in mouse TRESK by molecular modeling and mutational studies." BBA-Biomembranes 1828(3), 1131-1142 (2013.03) [ PDF ] (IF2011: 3.99).
  • 101. M. chandrasekaran, S. Sakkiah, Y. Lee, J. V. Narayanan, K. W. Lee, "Discovery of potent inhibitors for interleukin-2-inducible T-cell kinase: structure-based virtual screening and molecular dynamics simulation approaches." Journal of Molecular Modeling 19(2), 715-726 (2013.02) [ PDF ] (IF2011: 1.797).
  • 100. K. W. Lee, , M. Son, C. Park, A. Baek, "Molecular Mechanism of Amino Acid Discrimination for the Editing Reaction of E.coli Leucyl-tRNA Synthetase." World Academy of Science, Engineering and Technology 7(1), 362-367 (2013.01) [ PDF ] (IF2011: ).
  • 99. C. Park, S. Thangapandian, Y. Lee, M. Son, S. John, Y Sohn, K. W. Lee, "Molecular Dynamic Simulation and Receptor-based Pharmacophore Modeling on Human Renin for Discovery of Novel Inhibitors." World Academy of Science, Engineering and Technology 7(1), 33-38 (2013.01) [ PDF ] (IF2011: ).
  • 98. M. Son, C. Park, A. Baek, S. John, K. W. Lee, "Discovery of Human HMG-Coa Reductase Inhibitors using Structure-Based Pharmacophore Modeling Combined with Molecular Dynamics Simulation Methodologies." World Academy of Science, Engineering and Technology 7(1), 23-28 (2013.01) [ PDF ] (IF2011: ).
  • 97. S. Sakkiah, M. Arooj, R. Kumar, S. H. Eom, K. W. Lee, "Identification of Inhibitor Binding Site in Human Sirtuin 2 Using Molecular Docking and Dynamics Simulations." PLoS One 8(1), e51429 (2013.01) [ PDF ] (IF2011: 4.092).
  • 96. S. Thangapandian, S. Sohn, M. Son, V. Arulalapperumal, K. W. Lee, "Development of predictive quantitative structure?activity relationship model and its application in the discovery of human leukotriene A4 hydrolase inhibitors." Future Medicinal Chemistry 5(1), 27-40 (2013.01) [ PDF ] (IF2011: 2.522).

2012 (22 SCI)

  • 95. M. Kim, K. W. Lee, A. Cho, "Elucidation of Allosteric Inhibition Mechanism of 2-Cys Human Peroxiredoxin by Molecular Modeling." Journal of Chemical Information and Modeling 52(12), 3278-3283 (2012.12) [ PDF ] (IF2011: 4.675).
  • 94. M. chandrasekaran, S. Sakkiah, K. W. Lee, "Combined chemical feature-based assessment and Bayesian model studies to identify potential inhibitors for Factor Xa." Medicinal Chemistry Research 21(12), 4083-4099 (2012.12) [ PDF ] (IF2011: 1.271).
  • 93. M. Arooj, S. Thangapandian, S. John, S. Hwang, J. K. Park, K. W. Lee, "Computational Studies of Novel Chymase Inhibitors Against Cardiovascular and Allergic Diseases: Mechanism and Inhibition." Chemical Biology & Drug Design 80(6), 862-875 (2012.12) [ PDF ] (IF2011: 2.282).
  • 92. S. Thangapandian, S. Sohn, Y. Lee, V. Arulalapperumal, K. W. Lee, "Molecular Modeling Study on Tunnel Behavior in Different Histone Deacetylase Isoforms." PLoS One 7(11), e49327 (2012.11) [ PDF ] (IF2011: 4.092).
  • 91. S. Thangapandian, S. John, K. W. Lee, "Classical and 3D QSAR studies on inverse agonists of human histamine H1 receptor." Molecular Simulation 38(13), 1143-1156 (2012.11) [ PDF ] (IF2011: 1.328).
  • 90. Y. Lee, S. Kim, P. Lazar, J. Moon, S. Hwang, S. Thangapandian, Y. Shon, K. O. Lee, S. Y. Lee, K. W. Lee, "Comparative Molecular Modeling Study of Arabidopsis NADPH-Dependent Thioredoxin Reductase and Its Hybrid Protein." PLoS One 7(9), e46279 (2012.09) [ PDF ] (IF2011: 4.092).
  • 89. W. Jung, S. Kwon, M. Son, E. Cho, Y. Lee, J. Kim, B. Kim, D. Park, J. Hwang, T. Kim, H. Park, B. Park, J. Choi, K. Cho, K. Chung, Y. Song, I. Kim, S. Jin, D. Kim, S. Lee, K. W. Lee, W. Y. Bang, C. W. Kim, "RNA-Seq Approach for Genetic Improvement of Meat Quality in Pig and Evolutionary Insight into the Substrate Specificity of Animal Carbonyl Reductases." PLoS One 7(9), e42198 (2012.09) [ PDF ] (IF2011: 4.092).
  • 88. B. Lee, H. Lim, S. Kim, H. Youn, Y. Lee, Y. Kim, S. Eom, K. W. Lee, C. Park, "Localization of a Site of Action for Benzofuroindole-induced Potentiation of BK Channels." Molecular Pharmacology 82(2), 143-155 (2012.08) [ PDF ] (IF2011: 4.883).
  • 87. S. Sakkiah, S. Thangapandian, C. Park, M. Son, K. W. Lee, "Molecular Docking and Dynamics Simulation, Receptor-based Hypothesis: Application to Identify Novel Sirtuin 2 Inhibitors." Chemical Biology & Drug Design 80(2), 315-327 (2012.08) [ PDF ] (IF2011: 2.282).
  • 86. S. Thangapandian, S. John, P. Lazar, S. Choi, K. W. Lee, "Structural Origins for the Loss of Catalytic Activities of Bifunctional Human LTA4H Revealed through Molecular Dynamics Simulations." PLoS One 7(7), e41063 (2012.07) [ PDF ] (IF2011: 4.092).
  • 85. S. Sakkiah, M. Chandrasekaran, Y. Lee, S. Kim, K. W. Lee, "Molecular Modeling Study for Conformational Changes of Sirtuin2 due to Substrate and Inhibitor Binding." Journal of Biomolecular Structure & Dynamics 30(3), 235-254 (2012.07) [ PDF ] (IF2010: 4.986).
  • 84. S. Sakkiah, K. W. Lee, "Pharmacophore-based Virtual Screening and Density Functional Theory Studies to Identify Novel Butyrylcholinesterase Inhibitors." Acta Pharmacologica Sinica 33(7), 964-978 (2012.07) [ PDF ] (IF2011: 1.953).
  • 83. S. Sakkiah, S. Thangapandian, K. W. Lee, "Ligand-Based Virtual Screening and Molecular Docking Studies to Identify the Critical Chemical Features of Potent Cathepsin D Inhibitors." Chemical Biology & Drug Design 80(1), 64-80 (2012.07) [ PDF ] (IF2011: 2.282).
  • 82. S. Sakkiah, S. Thangapandian, K. W. Lee, "Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Simulation Approaches for Identifying New Lead Compounds for Inhibiting Aldose Reductase2." Journal of Molecular Modeling 18(7), 3267-3282 (2012.07) [ PDF ] (IF2011: 1.797).
  • 81. Amar A. Telke, Sunil S. Ghatge, S. H. Kang, S. Thangapandian, K. W. Lee, H. D. Shin, Y. Um, S. W. Kim, "Construction and Characterization of Chimeric Cellulases with Enhanced Catalytic Activity towards Insoluble Cellulosic Substrates." Bioresource Technology 112, 10-17 (2012.05) [ PDF ] (IF2011: 4.980).
  • 80. V. Arulalapperumal, S. Sakkiah, S. Thangapandian, Y. Lee, C. Meganathan, S. Hwang, K. W. Lee, "Ligand Based Pharmacophore Identification and Molecular Docking Studies for Grb2 Inhibitors." Bulletin of the Korean Chemical Society 33(5), 1707-1714 (2012.05) [ PDF ] (IF2011: 0.906).
  • 79. S. John, S. Thangapandian, K. W. Lee, "Potential Human Cholesterol Esterase Inhibitor Design: Benefits from the Molecular Dynamics Simulations and Pharmacophore Modeling Studies." Journal of Biomolecular Structure & Dynamics 29(5), 921-936 (2012.04) [ PDF ] (IF2010: 4.986).
  • 78. S. Sakkiah, C. Meganathan, Y. Sohn, S. Namadevan, K. W. Lee, "Identification of Important Chemical Features of 11β-Hydroxysteroid Dehydrogenase Type1 Inhibitors: Application of Ligand Based Virtual Screening and Density Functional Theory." International Journal of Molecular Sciences 13(4), 5138-5162 (2012.04) [ PDF ] (IF2011: 2.598).
  • 77. S. Thangapandian, S. John, M. Arooj, K. W. Lee, "Molecular Dynamics Simulation Study and Hybrid Pharmacophore Model Development in Human LTA4H Inhibitor Design." PLoS One 7(4), e34593 (2012.04) [ PDF ] (IF2011: 4.092).
  • 76. S. Sakkiah, A. Baek, K. W. Lee, "Pharmacophore Modeling and Molecular Dynamics Simulation to Identify the Critical Chemical Features against Human Sirtuin 2 Inhibitors." Journal of Molecular Structure 1011, 66-75 (2012.03) [ PDF ] (IF2011: 1.634).
  • 75. S. Sakkiah, S. Thangapandian, Y. Kim, K. W. Lee, "Pharmacophore Modeling and Molecular Dynamics Simulation to Find the Potent Leads for Aurora Kinase B†." Bulletin of the Korean Chemical Society 33(3), 869-880 (2012.03) [ PDF ] (IF2011: 0.906).
  • 74. S. Thangapandian, S. John, K. W. Lee, "Molecular Dynamics Simulation Study Explaining Inhibitor Selectivity in Different Class of Histone Deacetylases." Journal of Biomolecular Structure & Dynamics 29(4), 677-698 (2012.02) [ PDF ] (IF2010: 4.986).

2011 (19 = 16 SCI + 1 KCI + 2 Domestic)

  • 73. Y. S. Lee, K. S. Ryu, Y. Lee, S. Kim, K. W. Lee, H. S. Won, "Oxidation-Induced Conformational Change of a Prokaryotic Molecular Chaperone, Hsp33, Monitored by Selective Isotope Labeling." Journal of the Korean Magnetic Resonance Society 15(1), 137-145 (2011.12) [PDF] (학진등재지=KCI).
  • 72. S. Thangapandian, S. John, Y. Lee, S. Kim, K. W. Lee, "Dynamic Structure-Based Pharmacophore Model Development: A New and Effective Addition in the Histone Deacetylase 8 (HDAC8) Inhibitor Discovery." International Journal of Molecular Sciences 12(12), 9440-9462 (2011.12) [ PDF] (IF2010: 2.279).
  • 71. M. Arooj, S. Thangapandian, S. John, S. Hwang, J. K. Park, K. W. Lee, "3D QSAR Pharmacophore Modeling, in Silico Screening, and Density Functional Theory (DFT) Approaches for Identification of Human Chymase Inhibitors." International Journal of Molecular Sciences 12(12), 9236-9264 (2011.12) [ PDF] (IF2010: 2.279).
  • 70. S. John, S. Thangapandian, M. Arooj, J. C. Hong, K. D. Kim, K. W. Lee, "Development, Evaluation and Application of 3D QSAR Pharmacophore Model in the Discovery of Potential Human Renin Inhibitors." BMC Bioinformatics 12(Suppl 14):S4 (2011.12) [ PDF ] (IF2010: 3.029).
  • 69. S. Hwang, S. Thangapandian, Y. Lee, S. Sakkiah, S. John , K. W. Lee, "Discovery and Evaluation of Potential Sonic Hedgehog Signaling Pathway Inhibitors using Pharmacophore Modeling and Molecular Dynamics Simulations." Journal of Bioinformatics and Computational Biology 9(Suppl 1), 15-35 (2011.12) [ PDF ] (SCIE).
  • 68. S. Thangapandian, S. John, K. W. Lee, "Genetic Function Approximation and Bayesian Models for the Discovery of Future HDAC8 Inhibitors." Interdisciplinary Bio Central 3, article no. 15 (2011.11) [ PDF ] (Not SCI).
  • 67. P. Soundararajana, S. Sakkiahb, I. Sivanesanc, K. W. Lee*, B. R. Jeong*, "Macromolecular Docking Simulation to Identify Binding Site of FGB1 for Antifungal Compounds." Bulletin of The Korean Chemical Society 32(10), 3675-3681 (2011.10) [ PDF ] (IF2010: 0.871).
  • 66. M. Chandrasekaran, S. Sakkiah, K. W. Lee, "Combined Ligand Based Pharmacophore Modeling, Virtual Screening Methods to Identify Critical Chemical Features of Novel Potential Inhibitors for Phosphodiesterase-5." Journal of the Taiwan Institute of Chemical Engineers 42(5), 709-718 (2011.09) [ PDF ] (IF2010: 1.260).
  • 65. S. Thangapandian, S. John, S. Sakkiah, K. W. Lee, "Discovery of Potential Integrin VLA-4 Antagonists using Pharmacophore Modeling, Virtual Screening and Molecular Docking Studies." Chemical Biology & Drug Design 78(2), 289-300 (2011.08) [ PDF ] (IF2010: 2.527).
  • 64. S. John, S. Thangapandian, S. Sakkiah, K. W. Lee, "Discovery of Potential Pancreatic Cholesterol Esterase Inhibitors Using Pharmacophore Modeling, Virtual Screening and Optimization Studies." Journal of Enzyme Inhibition and Medicinal Chemistry 26(4), 535-545 (2011.08) [ PDF ] (IF2010: 1.574).
  • 63. S. Kim, Y. Lee, P. Lazar, M. Son, A. Baek, S. Thangapandian, N. Y. Jeong, Y. H. You, K. W. Lee, "Binding Conformation Prediction between Human Acetylcholinesterase and Cytochrome c using Molecular Modeling Methods." Journal of Molecular Graphics and Modeling 29(8), 996-1005 (2011.08) [ PDF ] [ Selected as Top 25 Hottest Articles ] (IF2010: 2.038).
  • 62. S. Sakkiah, S. Thangapandian, S. John, K. W. Lee, "Pharmacophore Based Virtual Screening, Molecular Docking Studies to Design Potent Heat Shock Protein 90 Inhibitors." European Journal of Medicinal Chemistry 46(7), 2937-2947 (2011.07) [ PDF ] [ Selected as Top 25 Hottest Articles (1st Ranked) ] (IF2010: 3.193).
  • 61. S. Thangapandian, S. John, S. Sakkiah, K. W. Lee, "Potential Virtual Lead Identification in the Discovery of Renin Inhibitors: Application of Ligand and Structure-Based Pharmacophore Modeling Approaches." European Journal of Medicinal Chemistry 46(6), 2469-2476 (2011.06) [ PDF ] (IF2010: 3.193).
  • 60. S. Thangapandian, S. John, S. Sakkiah, K. W. Lee, "Pharmacophore-based virtual screening and Bayesianmodel for the identification of potential human leukotriene A4 hydrolase inhibitors." European Journal of Medicinal Chemistry 46(5), 1593-1603 (2011.05) [ PDF ] (IF2010: 3.193).
  • 59. S. John, S. Thangapandian, S. Sakkiah, K. W. Lee, "Potent BACE-1 Inhibitor Design using Pharmacophore Modeling, In Silico Screening and Molecular Docking Studies." BMC Bioinformatics 12(Suppl 1):S28 (2011.02)[ PDF ] (IF2010: 3.029).
  • 58. S. Thangapandian, S. John, S. Sakkiah, K. W. Lee, "Molecular Modeling Study on Human Histamine H1 Receptor and Its Applications in Virtual Lead Identification for Designing Novel Inverse Agonists." Molecular Simulation 37(2), 100-114 (2011.02) [ PDF ] (IF2010: 1.215).
  • 57. S. Thangapandian, S. John, S. Sakkiah, K. W. Lee, "Molecular Docking and Pharmacophore Filtering in The Discovery of Dual-Inhibitors for Human Leukotriene A4 Hydrolase and Leukotriene C4 Synthase." Journal of Chemical Information and Modeling 51(1), 33-44 (2011.01) [ PDF ] (IF2010: 3.822).
  • 56. Y. Sohn, Y. Lee, C. Park, S. Hwang, S. Kim, A. Baek, M. Son, J-K. Suh, H-H. Kim, K. W. Lee, "Pharmacophore Identification for Peroxisome Proliferater-Activated Receptor gamma Agonists." Bulletin of the Korean Chemical Society 32(1), 201 - 207 (2011.01) [ PDF ] (IF2010: 0.871).
  • 55. S. Sakkiah, S. Thangapandian, S. John, K. W. Lee, "Identification of critical chemical features for Aurora kinase-B inhibitors using Hip-Hop, virtual screening and molecular docking." Journal of Molecular Structure 985(1), 14-26 (2011.01) [ PDF ] [ Selected as Top 25 Hottest Articles (4th Ranked) ] (IF2010: 1.599).

2010 ( 15 SCI )

  • 54. P. Lazar, Y. Lee, S. Kim, K. W. Lee, "Computational approach to ensure the stability of the favorable ATP binding site in E.coli Hfq." Journal of Molecular Graphics and Modeling 29(4), 573-580 (2010.12) [ PDF ] (IF2009: 2.169).
  • 53. S. Thangapandian, S. John, S. Sakkiah, K.W. Lee, "Docking-Enabled Pharmacophore Model for Histone Deacetylase 8 Inhibitors and Its Application in Anti-Cancer Drug Discovery." Journal of Molecular Graphics and Modeling 29(3), 382-395 (2010.11) [ PDF ] (IF2009: 2.169).
  • 52. M. Chandrasekaran, S. Shakkiah, S. Thangapandian, S. Namadevan, H.-H. Kim, Y. Kim, K.W. Lee, "Pharmacophore Design for Anti-inflammatory Agent Targeting Interleukin-2 Inducible Tyrosine Kinase (Itk)." Bull. Korean Chem. Soc. 31(11), 3333 - 3340 (2010.11) [ PDF ] (IF2009: 0.936).
  • 51. M. Chandrasekaran, S. Sebastian, M. Kurt, K. W. Lee, N. Sundaraganesan, "Molecular Structure, Spectroscopic (FTIR, FTIR gas phase, FT-Raman) first order hyperpolarizability and HOMO-LUMO analysis of 4-methoxy-2-methyl benzoic acid." Journal of Raman Spectroscopy 41, 1369-1378 (2010.11) [ PDF ] (IF: 3.526).
  • 50. J. Y. Kim, J. W. Lee, Y. S. Kim, Y. B. Ryu, S. Kim, H. W. Ryu, M. J. Curtis-Long, K. W. Lee, W. S. Lee, K. H. Park, "A Novel Competitive Class of a-Glucosidase Inhibitors: (E)-1-Phenyl-3-(4-Stryrylphenyl)Urea Derivatives." ChemBioChem 11(15), 2125-2131 (2010.10) [ PDF ] (IF2009: 3.824).
  • 49. S. Thangapandian, S. John, S. Sakkiah, K.W. Lee, "Ligand and Structure Based Pharmacophore Modeling to Facilitate Novel Histone Deacetylase 8 Inhibitor Design." European Journal of Medicinal Chemistry 45(10), 4409-4417 (2010.10) [ PDF ] [ Selected as Top 25 Hottest Articles ] (IF2009: 3.269).
  • 48. Y. Lee, W. Y. Bang, S. Kim, P. Lazar, C. W. Kim, J. D. Bahk, K. W. Lee, "Molecular Modeling Study for Interaction between Bacillus subtilis Obg and Nucleotides." PLoS ONE 5(9), e12597 (2010.09) [ PDF ] (IF2009: 4.351).
  • 47. S. John, S. Thangapandian, S. Sakkiah, K.W. Lee, "Identification of Potent Virtual Leads to Design Novel Indoleamine 2,3-Dioxygenase Inhibitors: Pharmacophore Modeling and Molecular Docking Studies." European Journal of Medicinal Chemistry 45(9), 4004-4012 (2010. 09) [ PDF ] [ Selected as Top 25 Hottest Articles ] (IF2009: 3.269).
  • 46. P. Lazar, Y. Lee, S. Kim, M. Chandrasekaran, K. W. Lee, "Molecular Dynamics Simulation Study for Ionic Strength Dependence of RNA-host factor Interaction in Staphylococcus aureus Hfq" Bull. Korean Chem. Soc. 31(6), 1519 - 1526 (2010.06) [ PDF ] (IF2009: 0.936).
  • 45. S. Sakkiah,S. Thangapandian, S. John, Y. J. Kwon, K.W. Lee, "3D QSAR Pharmacophore Based Virtual Screening and Molecular Docking for Identification of Potential HSP90 Inhibitors." European Journal of Medicinal Chemistry 45, 2132-2140 (2010.06) [ PDF ] [ Selected as Top 25 Hottest Articles ] (IF: 3.269).
  • 44. N. Krishnamoorthy, P. Gajendrarao, S. Thangapandian, Y. Lee, K. W. Lee, "Probing Possible Egress Channels for Multiple Ligands in Human CYP3A4: A Molecular Modeling Study." Journal of Molecular Modeling 16, 607-614 (2010.04) [ PDF ] (IF: 2.336).
  • 43. H. Eum, Y. Lee, S. Kim, A. Baek, M. Son, K. W. Lee, S. W. Ko, S. Kim, S. Y. Yun,. W. K. Lee, and H.-J. Ha, "Synthesis of Substituted Imidazolidin-2-ones as Aminoacyl-tRNA Synthase Inhibitors." Bull. Korean Chem. Soc. 31(3), 611-614 (2010.03) [ PDF ] (IF: 0.936).
  • 42. N. Bharatham, K. Bharatham, Y. Lee, S. Kim, P. Lazar, A. Baek, C. Park, H. Eum, H.-J. Ha, S. Y. Yun, W. K. Lee, S. Kim, K. W. Lee, "Molecular Docking Study of Aminoacyl-tRNA Synthetases (aaRSs) with Ligand Molecules from Four Different Scaffolds." Bull. Korean Chem. Soc. 31(3), 606-610 (2010.03) [ PDF ] (IF: 0.936).
  • 41. P. Gajendrarao, N. Krishnamoorthy, S. Sakkiah, K. W. Lee, "Molecular Modeling Study on the Orphan Human Protein CYP4A22 for Identification of Potential Ligand Binding Sites." Journal of Molecular Graphics and Modeling 28, 524-532 (2010.02) [ PDF ] (IF: 2.169).
  • 40. S. Thangapandian, N. Krishnamoorthy, S. John, S. Sakkiah, P. Lazar, Y. Lee, K. W. Lee, "Pharmacophore Modeling, Virtual Screening and Molecular Docking Studies for Identification of New Inverse Agonists of Human Histamine H1 Receptor." Bull. Korean Chem. Soc. 31(1), 52-58 (2010.01). [ PDF ] (IF: 0.936).

2009 (5 SCI + 1 domestic)

  • 39. P. Lazar, S. Kim, Y. Lee, M. Son, H.-H. Kim, Y. S. Kim, K. W. Lee, "Molecular Modeling Study on the Effect of Residues Distant from the Nucleotide Binding Portion on RNA Binding in Staphylococcus aureus Hfq." Journal of Molecular Graphics and Modeling 28, 253-260 (2009.10) [ PDF ] (IF: 2.169).
  • 38. Woo Young Bang, Akira Hata, In Sil Jeong, Tetsuya Umeda, Takayuki Masuda, Ji Chen, Ishizaki Yoko, I Nengah Suwastika, Dae Won Kim, Chak Han Im, Byung Hyun Lee, Yuno Lee, Keun Woo Lee, Takashi Shiina and Jeong Dong Bahk, "AtObgC, a plant ortholog of bacterial Obg, is a chloroplast-targeting GTPase essential for early embryogenesis." Plant Molecular Biology 71 379-390 (2009.07) [ PDF ] (IF: 3.541).
  • 37. N. Bharatham, K. Bharatham, Y. Lee, K. W. Lee, "Molecular Dynamics Simulation Study of Valyl-tRNA Synthetase with its Pre- and Post-transfer Editing Substrates." Biophysical Chemistry 143 (1-2) 34-43 (2009.07) [ PDF ] (IF:1.913).
  • 36. S. Sakkiah, N. Krishnamoorthy, P. Gajendrarao, S. Thangapandian, Y. Lee, S. Kim, J.-K. Suh, H.-H. Kim, K. W. Lee, "Pharmacophore Mapping and Virtual Screening for SIRT1 Activators." Bull. Korean Chem. Soc. 30(5) 1152-1156 (2009.05). [ PDF ] (IF: 1.257).
  • 35. Y. Lee, W. Bang, S. Kim, P. Lazar, J. D. Bahk, K. W. Lee, "Binding Mode Analysis of Bacillus subtilis Obg with Ribosomal Protein L13 through Computational Docking Study." Interdisciplinary Bio Central DOI:10.4051/ibc.2009.1.0003 (2009.03) [ PDF ] [ WWW ] (IF: Not SCI).
  • 34. Y. S. Kang, S. Y. Park, C. H. Yim, H. S. Kwak, P. Gajendrarao, N. Krishnamoorthy, H. Yoon, K. W. Lee, K.O. Han "CYP3A4*18 Genotype in Cytochrome P450 3A4 Gene, a Rapid Metabolizer of Sex Steroids, is Associated with Low Bone Mineral Density." Clinical Pharmacology and Therapeutics 85(3) 312-318 (2009.03) [ PDF ] (IF: 7.586).

2008 (4 SCI)

  • 33. Y. B. Ryu, M. J. Curtis-Long, J. H. Kim, S. H. Jeong, M. S. Yang, W. S. Lee, K. W. Lee, K. H. Park "Pterocarpans and Flavanones from Sophora Flavescens Displaying Potent Neuraminidase Inhibition." Bioorganic & Medicinal Chemistry Letters 18 6046-6049 (2008.12) [ PDF ] (IF:2.604).
  • 32. K. Bharatham, N. Bharatham, Y. J. Kwon, K. W. Lee, "Molecular Dynamics Simulation Study of PTP1B with Allosteric Inhibitor and its Application in Receptor Based Pharmacophore Modeling." Journal of Computer-Aided Molecular Design 22 925-933 (2008.12) [ PDF ] (IF:3.620).
  • 31. N. Krishnamoorthy, P. Gajendrarao, S. H. Eom, Y. J. Kwon, G. Cheong, K. W. Lee, "Molecular Modeling Study of CodX Reveals Importance of N-terminal and C-terminal Domain in the CodWX Complex Structure of Bacillus subtilis." Journal of Molecular Graphics and Modelling 27 1-12 (2008.08) [ PDF ] (IF: 2.347).
  • 30. K. Bharatham, N. Bharatham, K. H. Park, K. W. Lee, "Binding Mode Analyses and Pharmacophore Model Development for Sulfonamide Chalcone Derivatives, a New Class of a-Glucosidase Inhibitors." Journal of Molecular Graphics and Modelling 26 1202-1212 (2008.05) [ PDF ] (IF: 2.347). (This article was selected as the 2nd hottest article from the all JMGM articles for April to June 2008: PDF )

2007 (6 SCI)

  • 29. K. Bharatham, N. Bharatham, K. W. Lee, "Pharmacophore Modeling for Protein Tyrosine Phosphatase 1B Inhibitors." Archives of Pharmacal Research 30(5) 533-542 (2007.05) [ PDF ] (IF: 1.074).
  • 28. Y. Lee, N. Bharatham, K. Bharatham, K. W. Lee, "Adenosine Kinase Inhibitor Design Based on Pharmacophore Modeling." Bull. Korean Chem. Soc. 28(4) 561-566 (2007.04). [ PDF ] (IF: 1.257).
  • 27. Y. Zhai, M. H. Nawaz, E. Kirkbride, K. W. Lee, J. M. Briggs, S. A. Martinis "Modulation of Substrate Specificity within the Amino Acid Editing Site of Leucyl-tRNA Synthetase." Biochemistry 46(11), 3331-3337 (2007.03). [ PDF ] (IF: 3.379)
  • 26. N. Bharatham, K. Bharatham, K. W. Lee, "Pharmacophore Identification and Virtual Screening for Methionyl-tRNA Synthetase inhibitors." Journal of Molecular Graphics and Modelling 25(6) 813-823 (2007.03) [ PDF ] (IF: 2.347).
  • 25. K. W. Lee, Y. J. Kwon, J. M. Briggs, "Three Common Subunits in Editing Domains of Class Ia tRNA Synthetases." Bull. Korean Chem. Soc. 28(2) 207-210 (2007.02). [ PDF ] (IF: 1.257)
  • 24. N. Bharatham, K. Bharatham, K. W. Lee, "P56 LCK Inhibitor Identification by Pharmacophore Modelling and Molecular Docking." Bull. Korean Chem. Soc. 28(2) 200-206 (2007.02). [ PDF ] (IF: 1.257).

2006 (6 = 1 SCI + 5 domestic )

  • 23. 김진식, 이근우, 진용수, 유석종, 정규열, 이진원, 이상엽, 황대희, "대사경로 표준화 현황 (Standardization on Metabolic and Biological Pathway)." Bioinformatics and Biosystems 1(4) 196-200 (2006.12). [ HWP ]
  • 22. 김병우, 이근우, 김효선, 노승희, 박준순, 이윤호, 전진태, 권은정, 김철욱, 이정규, "TIGR Gene Indices를 이용한 돼지 cDNA Chip 제작용 후보유전자 염기서열 확보 방안" Bioinformatics and Biosystems 1(3) 174-180 (2006.09). [ PDF ]
  • 21. L. Shui, N. Bharatham, K. Bharatham, K. W. Lee, "Urokinase Inhibitor Design Based on Pharmacophore Model Derived from Diverse Classes of Inhibitors." Bioinformatics and Biosystems 1(2) 115-122 (2006.06). [ PDF ]
  • 20. 김병우, 이근우, 김효선, 노승희, 이윤호, 김시동, 전진태, 이지웅, 조용민, 정일정, 이정규, "생물정보시스템을 이용한 Local Animal BLAST Search System 구축." Bioinformatics and Biosystems 1(2) 99-102 (2006.06). [ PDF ]
  • 19. 이근우, "계산생물학을 이용한 AIDS치료제 개발" 화학세계 2006-05, 38-45 (2006.05). [ PDF ]
  • 18. N. Bharatham, K. Bharatham, K. W. Lee, "Quantitative Structure-Activity Relationships (QSAR) and Molecular Docking Studies of P56 LCK Inhibitors." Bull. Korean Chem. Soc. 27(2) 266-272 (2006.02). [ PDF ] (IF: 1.257)

2005 (5 SCI)

  • 17. S. B. Rho, K. W. Lee, S.-H. Lee, K. Park, J.-H. Lee "The Identification of Apotosis-Related Residues in Human Thymosin β-10 by Mutational Analysis and Computational Modeling." J. Biol. Chem. 280(30) 34003-34007 (2005.10). (Co-First Authors) [ PDF ] (IF: 5.520)
  • 16. B. A. Mulder, P. Yu, S. Anaya, K. W. Lee, A. Nguyen, J. Murphy, R. Willson, J. M. Briggs, X. Gao, S. H. Hardin "Nucleotide Modification at the γ-phosphate Leads to the Improved Fidelity of HIV-1 Reverse Transcriptase." Nucleic Acids Res. 33(15) 4865-4873 (2005.09). [ PDF ] (IF: 6.878)
  • 15. A. Brigo, K. W. Lee, F. Fogolari, G. I. Mustata, J. M. Briggs "Comparative Molecular Dynamics Simulations of HIV-1 Integrase and the T66I/M154I Mutant: Binding Modes and Drug Resistance to a Diketo Acid Inhibitor." PROTEINS: Structure, Function and Bioinformatics 59(4), 723-741 (2005.06). [ PDF ] (IF: 3.419)
  • 14. A. Brigo, K. W. Lee, G. I. Mustata, J. M. Briggs "Comparison of Multiple Molecular Dynamics Trajectories Calculated for the Drug-Resistant HIV-1 Integrase T66I/M154I Catalytic Domain." Biophysical J. 88(5), 3072-3082 (2005.05). [ PDF ] (IF: 4.683)
  • 13. J. Deng, K. W. Lee, T. Sanchez, M. Cui, N. Neamati, J. M. Briggs "Dynamic Receptor-Based Pharmacophore Model Development and its Application in Designing Novel HIV-1 Integrase Inhibitors." J. Med. Chem. 48(5), 1496-1505 (2005.03). [ PDF ] (IF: 4.898)

2004 (4 = 3 SCI + 1 )

  • 12. 이근우 "계산생물학의 소개." Korean. Biophys. Soc. Newsletter 10(1), 10-22 (2004.12). [ PDF ]
  • 11. K. W. Lee , J. M. Briggs " Molecular Modeling Study of the Editing Activity of  E. coli Leucyl-tRNA Synthetase: Two Amino Acid Binding Sites in the Editing Domain." PROTEINS: Structure, Function and Bioinformatics 54(4) 693-704 (2004.03). [ PDF ] (IF: 3.419)
  • 9. R. S. Mursinna, K. W. Lee, J. M. Briggs, S. A. Martinis "Molecular Dissection of a Critical Specificity Determinant within the Amino Acid Editing Domain of Leucyl-tRNA Synthetase." Biochemistry 43(1), 155-165 (2004.01). [ PDF ] (IF: 3.379) (Co-First Authors)

Up to 2003 (8 = 7 SCI + 1 )

  • 8. M. L. Barreca, K. W. Lee , A. Chimirri, J. M. Briggs "Molecular Dynamics Studies of the Wild-type and Double Mutant HIV-1 Integrase Complexed with the 5CITEP Inhibitor: Mechanism for Inhibition and Drug Resistance." Biophysical J. 84(3), 1450-1463 (2003.03). [ PDF ] (IF: 4.757 / 4.627)
  • 7. K. W. Lee, J. M. Briggs "Comparative Molecular Field Analysis (CoMFA) Study of Epothilones- Tubulin Depolymerization Inhibitors: Pharmacophore Development Using 3D QSAR Methods." J. Computer-Aided Molecular Design 15(1), 41-55 (2001.01). [ PDF ] (IF: 3.620)
  • 6. N. Liu, H. Samartzidou, K. W. Lee, J. M. Briggs, A. Delcour "Effects of Pore Mutations and Permeant Ion Concentration on the Spontaneaous Gating Action of OmpC Porin." Protein Engineering Design and Selection 13(7), 491-500 (2000.01). [ PDF ] (IF: 2.787)
  • 5. K. W. Lee ,S. Y. Kwon, S. Hwang, J.-U. Lee, H. Kim "Quantitative Structure-Activity Relationship (QSAR) Study on C-7 Substituted Quinolone." Bull. Korean Chem. Soc. 17(2), 147-152 (1996.02) [ PDF ] (IF: 1.257)
  • 4. K. W. Lee , H. Kim "Quantitative Structure-Activity Relationship(QSAR) Study by Use of Theoretical Descriptors: Quinolone and Naphthyridine." Bull. Korean Chem. Soc. 15(12), 1070-1079 (1994.12).  [ PDF ] (IF: 1.257)
  • 3. J. H. Lee, K. W. Lee, H. Kim "A Study on Ni-H, Pd-H, and Pt-H Systems by Cluster Orbital Method." Bull. Korean Chem. Soc. 14(2), 225-234 (1993.02). [ PDF] (IF: 1.257)
  • 2. K. W. Lee , H. Kim "Quantitative Structure-Activity Relationship Study on Quinolones and Naphthyridines." Kor. J. of Med. Chem. 2(2), 113-121 (1992.10). [ PDF ]
  • 1. K. W. Lee , H. Kim  "The Hydrogen Atom in Interstices of Pd Cluster." Bull. Korean Chem. Soc. 13(4), 367-375 (1992.04). [ PDF ] (IF: 1.257)


Poster Presentations/ 학술회의포스터발표

2014


[The 4th Asia Pacific Protein Association (APPA) Conference]

  • 166. K. W. Lee, M. Arooj, G. P. Cao, V. Arulalapperumal, "Computer-Aided Drug Design (CADD) for Human Chymase via Systems Biology." The 4th Asia Pacific Protein Association (APPA) Conference, ICC Jeju, Korea, May. 17-20, 2014. [Oral Presentation]

[9th Annual Great Lakes Bioinformatics Conference]

  • 165. V. Arulalapperumal, S. Thangapandian, S. John, S. Kim, M. Arooj, S. Sakkiah, Y. Lee, G. P. Cao, K. W. Lee, "Prediction of Functionally Important Genes for Target Identification of Lung Cancer Disease and Pharmacophore Modeling and Molecular Docking for PEP Inhibitor." 9th Annual Great Lakes Bioinformatics Conference, Cincinnati Children's Hospital Medical Center, Cincinnati, Ohio, America, May. 16-18, 2014. [Oral Presentation]
  • 164. V. Arulalapperumal, S. Sakkiah, S. John, Y. Lee, M. Arooj, K. W. Lee, "Pathway Comparision and Target Identification of Clucocorticoid Receptor Activation Effect (GRAE) on Human Cancer Cells by Differential Cene Expression Analysis and Survival Analysis." 9th Annual Great Lakes Bioinformatics Conference, Cincinnati Children's Hospital Medical Center, Cincinnati, Ohio, America, May. 16-18, 2014.

[IBC's 6th Annual AsiaTIDES (Oligonucleotide and Peptide)]

  • 163. V. Arulalapperumal, C. Park, N. Devi, M.Son, A. Baek, K. W. Lee, "Identifying Drug Target and Off-Targets of Human Alzheimer Disease by Chemical Compound Mining and Systems Biology Approaches." IBC's 6th Annual AsiaTIDES (Oligonucleotide and Peptide), Sheraton Miyako Hotel, Tokyo, Japan, Feb. 25-27, 2014.

[Biophysical Society_58th Annual Meeting]

  • 162. S. Kim, Y. Lee, K. W. Lee, "Effect of F156 and F364 Residues in Mouse TRESK for K+-channel Blockers using Molecular Dynamics Simulation with Lipid Bilayer." Biophysical Society_58th Annual Meeting, San Francisco, California, America, Feb. 15-19, 2014.
  • 161. Y. Lee, S. Kim, K. W. Lee, "Molecular Modeling Study of AtTrx-HS for Predicting Their Theromo-stability, Chaperone Function, and Oligomerization." Biophysical Society_58th Annual Meeting, San Francisco, California, America, Feb. 15-19, 2014.
  • 160. M. Son, C. Park, A. Baek, K. W. Lee, "Idendification of virtual candidates for human HMG-CoA reductase inhibitors using pharmacophore modeling and molecular dynamics simulation." Biophysical Society_58th Annual Meeting, San Francisco, California, America, Feb. 15-19, 2014.
  • 159. A. Baek, K. W. Lee, "Computational Mutation and Molecular Dynamics Simulations Studies for Fragaria vesca Alcohol Acetyltransferases to Increase Esterification Activities." Biophysical Society_58th Annual Meeting, San Francisco, California, America, Feb. 15-19, 2014.

2013


[2013 대한의료정보학회 및 한국생물정보시스템 생물학회 추계학술대회]

  • 158. P. G. Heo, Y. Lee, S. Kim, H. S. Lee, K. W. Lee, "VASOPRESSIN V2 Receptor Inhibitor Design using 3D QSAR Pharmacophore Modeling ." 2013 대한의료정보학회 및 한국생물정보시스템 생물학회 추계학술대회, Arpina Youth Hostel, Busan, Korea, Nov. 11-13, 2013.
  • 157. H. S. Lee, Y. Lee, S. Kim, P. G. Heo, K. W. Lee, "C5a Anphylatoxin Receptor Inhibitor Design using 3D QSAR Pharmacophore Modeling." 2013 대한의료정보학회 및 한국생물정보시스템 생물학회 추계학술대회, Arpina Youth Hostel, Busan, Korea, Nov. 11-13, 2013.
  • 156. S. Kim, Y. S. Sohn, C. Park, K. W. Lee, "Design of Novel mTOR Inhibitor using Pharmacophore Modeling." 2013 대한의료정보학회 및 한국생물정보시스템 생물학회 추계학술대회, Arpina Youth Hostel, Busan, Korea, Nov. 11-13, 2013.
  • 155. G. Cao, M. Arooj, M. Son, V. Arulalapperumal, K. W. Lee, "Classification Models of Sirtuin1 Activators and Least Activators Based on Neighborhood Classifier." 2013 대한의료정보학회 및 한국생물정보시스템 생물학회 추계학술대회, Arpina Youth Hostel, Busan, Korea, Nov. 11-13, 2013.
  • 154. V. Arulalapperumal, Y. Lee, M. Arooj, C. Park, A. Baek, G. Cao, K. W. Lee, "Prediction of Functionally Important Genes for Target Identification of Lung Cancer Disease from TGF- β Induced Epithelial Mesenchymal Transition (EMT) Model Cells." 2013 대한의료정보학회 및 한국생물정보시스템 생물학회 추계학술대회, Arpina Youth Hostel, Busan, Korea, Nov. 11-13, 2013.
  • 153. Y. Lee, S. Kim, K. W. Lee, "Modeling Approach for Consensus Design of VLR Repeat Proteins: Relationship between Thermostability and Repeat Module Number." 2013 대한의료정보학회 및 한국생물정보시스템 생물학회 추계학술대회, Arpina Youth Hostel, Busan, Korea, Nov. 11-13, 2013.
  • 152. M. Arooj, K. W. Lee, "Finding Off-targets, Biological Pathways & Target Diseases for Chymase Inhibitors via Structure-based Systems Biology Approach." 2013 대한의료정보학회 및 한국생물정보시스템 생물학회 추계학술대회, Arpina Youth Hostel, Busan, Korea, Nov. 11-13, 2013. [Oral presentation]

[CMTPI 2013]

  • 151. V. Arulalapperumal, S. Thangapandian, S. John, S. Kim, M. Arooj, G. P. Cao, K. W. Lee, "Molecular Mechanism of Amino Acid Discrimination for the Editing Reaction of E.coli Leucyl-tRNA Synthetase." Computational Methods in Toxicology and Pharmacology Integrating Internet Resources 2013, Grand Hilton Hotel, Seoul, Korea, Oct. 8-12, 2013.
  • 150. Y. Lee, S. Kim, K. W. Lee, "Binding Mode Analyses and Pharmacophore Model Development for Stilbene Derivatives as a Novel and Competitive Class of a-Glucosidase Inhibitors." Computational Methods in Toxicology and Pharmacology Integrating Internet Resources 2013, Grand Hilton Hotel, Seoul, Korea, Oct. 8-12, 2013.
  • 149. G. Cao, M. Arooj, V. Arulalapperumal, K. W. Lee, "Comparison of k Nearest Neighbors and Neighborhood Classifier Systems for Classification Models of Sirtuin1 Activators and Least Activators." Computational Methods in Toxicology and Pharmacology Integrating Internet Resources 2013, Grand Hilton Hotel, Seoul, Korea, Oct. 8-12, 2013.

[2013 International Symposium and Annual Meeting of the KSABC]

  • 148. E. Lee, K. W. Lee, "Novel Tyrosinase Inhibitor Design using Structure-based Pharmacophore Modeling." 2013 International Symposium and Annual Meeting of the KSABC, Haeundae Grand Hotel, Busan, Korea, Jun. 27-29, 2013.
  • 147. S. Kim, Y. Sohn, K. W. Lee, "Design of Novel mTOR Inhibitor using Pharmacophore Modeling." 2013 International Symposium and Annual Meeting of the KSABC, Haeundae Grand Hotel, Busan, Korea, Jun. 27-29, 2013.

[2013 [Bio-IT World Asia Conference 2013]

  • 146. V. Arulalapperumal, S. Sakkiah, M. Arooj, G. Cao, K. W. Lee, "Prediction of Tolrestat Off-targets with Biological Pathways, Target Diseases by Validating Protein-Protein Interaction based on Chemical Systems Biology Approach." Bio-IT World Asia Conference 2013, Marina Bay Sands, Singapore, May. 28-31, 2013.

[ICCMAS2013]

  • 145. K. W. Lee, M. Son, C. Park, A. Baek, "Molecular Mechanism of Amino Acid Discrimination for the Editing Reaction of E.coli Leucyl-tRNA Synthetase." International Conference on Computational Modeling, Analysis and Simulation 2013, Geroldswil Swiss Quality Hotel, Geroldswil Zurich, Switzerland, Jan. 14-15, 2013.
  • 144. M. Son, C. Park, A. Baek, S. John, K. W. Lee, "Discovery of Human HMG-Coa Reductase Inhibitors Using Structure-Based Pharmacophore Modeling Combined with Molecular Dynamics Simulation Methodologies." International Conference on Computational Modeling, Analysis and Simulation 2013, Geroldswil Swiss Quality Hotel, Geroldswil Zurich, Switzerland, Jan. 14-15, 2013.
  • 143. C. Park, S. Thangapandian, Y. Lee, M. Son, S. John, Y. Sohn, K. W. Lee, "Molecular Dynamic Simulation and Receptor-based Pharmacophore Modeling on Human Renin for Discovery of Novel Inhibitors." International Conference on Computational Modeling, Analysis and Simulation 2013, Geroldswil Swiss Quality Hotel, Geroldswil Zurich, Switzerland, Jan. 14-15, 2013.

2012


[DrugDesign2012]

  • 142. S. Kim, Y. Lee, K. W. Lee, "Identification of Blocker Binding Site in Mouse TRESK Potassium Channel by Molecular Modeling Study." in the DrugDesign2012, 1st International Conference and Exhibition, St Hilda's College, Oxford, UK, Sep. 26-28, 2012.
  • 141. Y. Lee, S. Kim, K. W. Lee, "Combined Approach of Molecular Docking and Molecular Dynamics Simulations for Stibene Derivatives as a Novel and Competitive Class of ??-Glucosidase Inhibitors." in the DrugDesign2012, 1st International Conference and Exhibition, St Hilda's College, Oxford, UK, Sep. 26-28, 2012.
  • 140. S. Kim, Y. Lee, K. W. Lee, "Identification of Blocker Binding Site and Critical Chemical Features for TREK-2 Potassium Channel by Molecular Docking Simulation and Structure-based Pharmacophore Modeling." in the DrugDesign2012, 1st International Conference and Exhibition, St Hilda's College, Oxford, UK, Sep. 26-28, 2012.

2011


[GIW2011]

  • 139. S. John, S. Thangapandian, M. Arooj, J. C. Hong, K. D. Kim, K. W. Lee, "Development, Evaluation and Application of 3D QSAR Pharmacophore Model in the Discovery of Potential Human Renin Inhibitors." The 22nd International Conference on Genome Informatics, Haeundae Grand Hotel, Busan, Korea, Dec. 5-7, 2011. [Oral Presentation]
  • 138. S. Hwang, S. Thangapandian, Y. Lee, S. Sakkiah, S. John, K. W. Lee, "Discovery and Evaluation of Potential Sonic Hedgehog Signaling Pathway Inhibitors using Pharmacophore Modeling and Molecular Dynamics Simulations." The 22nd International Conference on Genome Informatics, Haeundae Grand Hotel, Busan, Korea, Dec. 5-7, 2011.
  • 137. Y. Lee, S. Kim, K. W. Lee, "Molecular Dynamics Simulation Study for Understanding of Electron Transfer Mechanism in Escherichia coli Thioredoxin Reductase." The 22nd International Conference on Genome Informatics, Haeundae Grand Hotel, Busan, Korea, Dec. 5-7, 2011.
  • 136. S. Kim, Y. Lee, K. W. Lee, "Homology Modeling of Mouse TRESK and Prediction of Potassium Channel Blocker Binding Site through Molecular Docking Simulations." The 22nd International Conference on Genome Informatics, Haeundae Grand Hotel, Busan, Korea, Dec. 5-7, 2011.
  • 135. M. Son, A. Baek, S. Sakkiah, C. Park, K. W. Lee, "Discovery of Human HMG-CoA Reductase Inhibitors Using Pharmacophore Modeling and Molecular Docking." The 22nd International Conference on Genome Informatics, Haeundae Grand Hotel, Busan, Korea, Dec. 5-7, 2011.
  • 134. C. Park, M. Son, K. W. Lee, "Investigation of Catalytic Mechanism of Type I Isopentenyl Diphosphate Isomerase through Molecular Dynamics Simulation." The 22nd International Conference on Genome Informatics, Haeundae Grand Hotel, Busan, Korea, Dec. 5-7, 2011.
  • 133. A. Baek, Y. Sohn, K. W. Lee, "Comparative Studies of Binding Modes between Fragaria Vesca Alcohol Acetyltransferases (VAAT) and Fragaria X Ananassa Alcohol Acetyltransferases (SAAT) with Same Alcohol Substrates by Molecular Modeling Study." The 22nd International Conference on Genome Informatics, Haeundae Grand Hotel, Busan, Korea, Dec. 5-7, 2011.
  • 132. Y. Sohn, Y. Lee, S. Kim, K. W. Lee, "Dynamic Pharmacophore Modeling of Peroxisome Proliferator-Activated Receptor ?? to Discover Novel Agonists." The 22nd International Conference on Genome Informatics, Haeundae Grand Hotel, Busan, Korea, Dec. 5-7, 2011.
  • 131. S. Kim, Y. Lee, Y. Sohn, K. W. Lee, "Matrix Metalloproteinase-3 Inhibitor Design using 3D QSAR Pharmacophore Modeling." The 22nd International Conference on Genome Informatics, Haeundae Grand Hotel, Busan, Korea, Dec. 5-7, 2011.
  • 130. M. Chandrasekaran, S. Sakkiah, K. W. Lee, "Combined Chemical Feature Based Assessment and Bayesian Model Studies to Identify Potential Inhibitors for Factor Xa." The 22nd International Conference on Genome Informatics, Haeundae Grand Hotel, Busan, Korea, Dec. 5-7, 2011.
  • 129. S. Thangapandian, S. John, K. W. Lee, "Molecular Dynamics Simulation Study and Hybrid Pharmacophore Model Development in Human LTA4H Inhibitor Design." The 22nd International Conference on Genome Informatics, Haeundae Grand Hotel, Busan, Korea, Dec. 5-7, 2011.
  • 128. S. Sakkiah, K. W. Lee, "Pharmacophore Based Virtual Screening, Molecular Docking and Density Functional Theory to Identify Novel Butyrylcholinesterase Inhibitors." The 22nd International Conference on Genome Informatics, Haeundae Grand Hotel, Busan, Korea, Dec. 5-7, 2011.
  • 127. G. P. Cao, S. Thangapandian, S. John, M. Arooj, V. Arulalapperumal, K. W. Lee, "A Hybrid GA/SVM Approach for Classification of HDAC8 Inhibitors." The 22nd International Conference on Genome Informatics, Haeundae Grand Hotel, Busan, Korea, Dec. 5-7, 2011.
  • 126. V. Arulalapperumal, S. Sakkiah, S. Thangapandian, Y. Lee, G. P. Cao, K. W. Lee, "Chemical System Biology Approach: Functional Site Analysis to Finding Drug off-target Effect of Aldose Reductase Inhibitors for Diabetes." The 22nd International Conference on Genome Informatics, Haeundae Grand Hotel, Busan, Korea, Dec. 5-7, 2011.
  • 125. M. Arooj, S. John, S. Hwang, G. P. Cao, S. Sakkiah, K. W. Lee, "Discovery of Human Chymase Inhibitors via Multiple Pharmacophore-Based Virtual Screening, Molecular Docking, and DFT Techniques." The 22nd International Conference on Genome Informatics, Haeundae Grand Hotel, Busan, Korea, Dec. 5-7, 2011.

[TBC2011]

  • 124. S. Hwang, S. Thangapandian, K. W. Lee, "Molecular Dynamics Simulations of Sonic Hedgehog-Receptor and Inhibitor Complexes and Their Applications for Potential Anticancer Agent Discovery." Translational Bioinformatics Conference, Seoul National University College of Medicine, Seoul, Korea, Nov. 10-11, 2011. [Oral Presentation]
  • 123. M. Chandrasekaran, S. Sakkiah, Y. Lee, K. W. Lee, "Structure-based Pharmacophore Modeling and Molecular Dynamics Simulations Approaches to Design Potent Inhibitor for Interleukin-2-inducible T-cell Kinase." Translational Bioinformatics Conference, Seoul National University College of Medicine, Seoul, Korea, Nov. 10-11, 2011. [Oral Presentation]
  • 122. M. Arooj, S. Thangapandian, S. John, J. K. Park, K. W. Lee, "3D QSAR Analysis of Novel Chymase Inhibitors against Cardiovascular and Allergic Diseases: A Density Functional Theory and Docking Study." Translational Bioinformatics Conference, Seoul National University College of Medicine, Seoul, Korea, Nov. 10-11, 2011. [Oral Presentation]
  • 121. S. Thangapandian, S. John, M. Son, V. Arulalapperumal, K. W. Lee, "Development of Predictive QSAR Model and Its Application in the Discovery of Human Leukotriene A4 Hydrolase Inhibitors." Translational Bioinformatics Conference, Seoul National University College of Medicine, Seoul, Korea, Nov. 10-11, 2011. [Oral Presentation]

[EMBO/EMBL Symposium]

  • 120. S. Sakkiah, K. W. Lee, "Molecular Dynamics Simulation Study for Nicotinamide Binding of Wild-type and Mutated Human Sirtuin2." EMBO/EMBL Symposium: Structure and Dynamics of Protein Networks, Heidelberg, Germany, Oct. 13-16, 2011.

[APBC2011]

  • 119. S. John, S. Thangapandian, S. Sakkiah, K. W. Lee, "Potent BACE-1 inhibitor design using pharmacophore modeling, In Silico screening and molecular docking studies." in the 9th Asia Pacific Bioinformatics Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Songdo Convensia, Incheon, Korea, Jan. 11-14, 2011. [Oral Presentation]
  • 118. S. Kim, Y. Lee, M. Son, A. Baek, K. W. Lee, "Prediction of binding conformation between human acetylcholinesterase and cytochrome c using molecular modeling methods." in the 9th Asia Pacific Bioinformatics Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Songdo Convensia, Incheon, Korea, Jan. 11-14, 2011.
  • 117. S. Thangapandian, S. John, S. Sakkiah, K. W. Lee, "Potential lead identification in the discovery of novel renin inhibitor : Application of ligand and structure-based pharmacophore models." in the 9th Asia Pacific Bioinformatics Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Songdo Convensia, Incheon, Korea, Jan. 11-14, 2011.
  • 116. M. Arooj, S. Thangapandian, S. John, K. W. Lee, "Pharmacophore modeling and molecular docking studies for the identification of new human chymase inhibitors." in the 9th Asia Pacific Bioinformatics Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Songdo Convensia, Incheon, Korea, Jan. 11-14, 2011.
  • 115. A. Baek, Y. Sohn, S. Kim, Y. Lee, K. W. Lee, "Comparative studies of binding modes between fragaria vesca alcohol acetyltransferases (VAAT) and fragaria x ananassa alcohol acetyltransferases (SAAT) with same alcohol substrates by molecular modeling study." in the 9th Asia Pacific Bioinformatics Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Songdo Convensia, Incheon, Korea, Jan. 11-14, 2011.
  • 114. C. Park, S. Thangapandian, S. John, M. Son, Y. Lee, K. W. Lee, "Molecular dynamics simulation study of renin with inhibitors and its application in receptor-based pharmacophore modeling." in the 9th Asia Pacific Bioinformatics Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Songdo Convensia, Incheon, Korea, Jan. 11-14, 2011.
  • 113. M. Son, C. Park, S. Kim, Y. Lee, K. W. Lee, "Ligand and structure based pharmacophore models in the identification of potent substrates for NAD(P)H:Quinon oxidoreductase1 (NQO1)." in the 9th Asia Pacific Bioinformatics Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Songdo Convensia, Incheon, Korea, Jan. 11-14, 2011.
  • 112. S. Hwang, S. Thangapandian, K. W. Lee, "Discovery and evaluation of inhibitory lead candidates for sonic hedgehog using pharmacophore model and molecular dynamics simulation." in the 9th Asia Pacific Bioinformatics Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Songdo Convensia, Incheon, Korea, Jan. 11-14, 2011.
  • 111. V. Arulalapperumal, S. Sakkiah, K. W. Lee, "Ligand based pharmacophore identification and molecular docking studies for growth factor receptor bound protein 2 inhibitors." in the 9th Asia Pacific Bioinformatics Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Songdo Convensia, Incheon, Korea, Jan. 11-14, 2011.
  • 110. Y. Lee, S. Kim, K. W. Lee, "Molecular modeling study of LPS recognition in TLR4-MD-2 complex." in the 9th Asia Pacific Bioinformatics Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Songdo Convensia, Incheon, Korea, Jan. 11-14, 2011.
  • 109. M. Chandrasekaran, S. Sakkiah, K. W. Lee, "Pharmacophore modeling, virtual screening approach to discover potent inhibitor for thrombin." in the 9th Asia Pacific Bioinformatics Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Songdo Convensia, Incheon, Korea, Jan. 11-14, 2011.
  • 108. S. Sakkiah, S. Thangapandian, S. John, M. Chandrasekaran, K. W. Lee, "Dynamic receptor-based pharmacophore development and its application in designing novel sirtuin 2 inhibitors." in the 9th Asia Pacific Bioinformatics Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Songdo Convensia, Incheon, Korea, Jan. 11-14, 2011.
  • 107. G. P. Cao, S. Thangapandian, S. John, K. W. Lee, "Classification of HDAC8 inhibitors and non-inhibitors using support vector machines." in the 9th Asia Pacific Bioinformatics Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Songdo Convensia, Incheon, Korea, Jan. 11-14, 2011.

2010

  • 106. S. John, S. Thangapandian, K. W. Lee, "Molecular dynamics simulation and structure-based pharmacophore modeling in the discovery of potential cholesterol esterase inhibitors." in Celebrating computational biology, St. Catherine's College, University of Oxford, Oxford, United Kingdom, Sep. 12-15, 2010.
  • 105. S. Thangapandian, S. John, K. W. Lee, "Molecular docking and pharmacophore filtering in the discovery of dual-inhibitors for human leukotriene a4 hydrolase (hLTA4H) and leukotriene C4 synthase (hLTC4S)." in Celebrating computational biology, St. Catherine's College, University of Oxford, Oxford, United Kingdom, Sep. 12-15, 2010.
  • 104. A. Baek, S. Kim, M. Son, Y. Lee, K. W. Lee, "Homology homology modeling and molecular dynamics simulation study for arabidopsis thaliana small and basic intrinsic proteins (SIP)." in the 17th Annual Meeting of the Korean Biophysical Society, Yonsei-Samsung Library Building, University of Yonsei University, Korea, Jun. 25, 2010.
  • 103. S. Kim, Y. Lee, M. Son, A. Baek, K. W. Lee, "Binding mode analysis of human acetylcholinesterase with human cytochrome c using molecular docking methods." in the 17th Annual Meeting of the Korean Biophysical Society, Yonsei-Samsung Library Building, University of Yonsei University, Korea, Jun. 25, 2010.
  • 102. Y. Lee, S. Kim, K. W. Lee, "Macro-molecular docking study for human AChE WAT domain with human caveolin-1." in the 17th Annual Meeting of the Korean Biophysical Society, Yonsei-Samsung Library Building, University of Yonsei University, Korea, Jun. 25, 2010.
  • 101. S. Hwang, S. Thangapandian, Y. Lee, K. W. Lee, "Sonic hedgehog (SHH) inhibitor design by pharmacophore modeling and virtual screening." in the 105th spring meeting of the Korean Chemical Society, Songdo Convensia, Incheon, Korea, Apr. 29-30, 2010.
  • 100. Y. Lee, S. Kim, K. W. Lee, "Molecular docking study for glucokinase (GK) activators." in the 105th spring meeting of the Korean Chemical Society, Songdo Convensia, Incheon, Korea, Apr. 29-30, 2010.
  • 99. S. Sakkiah, S. Thangapandian, S. John, K. W. Lee, "Structure-based virtual screening for the discovery of novel potent HSP90 inhibitors." in the 105th spring meeting of the Korean Chemical Society, Songdo Convensia, Incheon, Korea, Apr. 29-30, 2010.
  • 98. S. John, S. Thangapandian, S. Sakkiah, K. W. Lee, "Molecular dynamics simulation detailing the importance of bile salts in human cholesterol esterase." in the 105th spring meeting of the Korean Chemical Society, Songdo Convensia, Incheon, Korea, Apr. 29-30, 2010.
  • 97. S. Thangapandian, S. John, S. Sakkiah, K. W. Lee, "Pharmacophore modeling and virtual screening for novel histone deacetylase 8 inhibitor design." in the 105th spring meeting of the Korean Chemical Society, Songdo Convensia, Incheon, Korea, Apr. 29-30, 2010.
  • 96. M. Chandrasekaran, S. Sakkiah, K. W. Lee, "Identify novel potential inhibitors for PDE5 using pharmacophore modeling and ligand-based virtual screening." in the 105th spring meeting of the Korean Chemical Society, Songdo Convensia, Incheon, Korea, Apr. 29-30, 2010.

2009

  • 95. C. Park, Y. Lee, K. W. Lee, "Homology modeling and molecular dynamics study for Arabidopsis thaliana CONSTANS B-box motifs." in the Bioinfo 2009, The 10th International conference, Haeundae Grand Hotel, Busan, Korea, Nov. 4-6, 2009.
  • 94. P. Lazar, S. Thangapandian, Y. Lee, K. W. Lee, "Computational approach to ensure the stability of the favorable ATP binding site in Hfq." in the Bioinfo 2009, The 10th International conference, Haeundae Grand Hotel, Busan, Korea, Nov. 4-6, 2009.
  • 93. M. Son, A. Baek, S. Kim, Y. Lee, K. W. Lee, "Three dimensional structure determination of sirt1 by homology modeling method." in the Bioinfo 2009, The 10th International conference, Haeundae Grand Hotel, Busan, Korea, Nov. 4-6, 2009.
  • 92. S. Kim, Y. Lee, M. Son, A. Baek, K. W. Lee, "Molecular docking study on molecular interaction between human acetylcholinesterase and cytochrome c." in the Bioinfo 2009, The 10th International conference, Haeundae Grand Hotel, Busan, Korea, Nov. 4-6, 2009.
  • 91. Y. Lee, S. Kim, W. Y. Bang, J. D. Bahk, K. W. Lee, "Developing a reliable 3D structure of Arabidopsis RelA/SpoT homolog 1." in the Bioinfo 2009, The 10th International conference, Haeundae Grand Hotel, Busan, Korea, Nov. 4-6, 2009.
  • 90. A. Baek, S. Kim, M. Son, Y. Lee, K. W. Lee, "Molecular modeling study on Arabidopsis thaliana small and basic intrinsic proteins (SIP)." in the Bioinfo 2009, The 10th International conference, Haeundae Grand Hotel, Busan, Korea, Nov. 4-6, 2009.
  • 89. S. John, S. Thangapandian, S. Sakkiah, K. W. Lee, "Identification of novel indoleamine 2,3-dioxygenase inhibitors: Pharmacophore modeling and molecular docking studies." in the Bioinfo 2009, The 10th International conference, Haeundae Grand Hotel, Busan, Korea, Nov. 4-6, 2009.
  • 88. S. Sakkiah, M. Chandrasekaran, S. Thangapandian, S. John, K. W. Lee, "Identification of critical and selective features for Aurora-B and Aurora-A (B/A) kinase antagonist based on pharmacophore modeling." in the Bioinfo 2009, The 10th International conference, Haeundae Grand Hotel, Busan, Korea, Nov. 4-6, 2009.
  • 87. M. Chandrasekaran, S. Sakkiah, S. Thangapandian, K. W. Lee, "Pharmacophore design for anti-inflammatory agent targeting interleukin inducible 2 tyrosine kinase (Itk)." in the Bioinfo 2009, The 10th International conference, Haeundae Grand Hotel, Busan, Korea, Nov. 4-6, 2009.
  • 86. P. Gajendrarao, N. Krishnamoorthy, S. Thangapandian, K. W. Lee, "Structure-based pharmacophore modeling, virtual screening and molecular docking studies for CodWX protease." in the Bioinfo 2009, The 10th International conference, Haeundae Grand Hotel, Busan, Korea, Nov. 4-6, 2009.
  • 85. S. Thangapandian, S. John, S. Sakkiah, K. W. Lee, "Discovery of integrin VLA-4 antagonists: Pharmacophore modeling, virtual screening, molecular docking studies." in the Bioinfo 2009, The 10th International conference, Haeundae Grand Hotel, Busan, Korea, Nov. 4-6, 2009.
  • 84. Sugunadevi Sakkiah, Poornima, Sundarapandian, Navaneethakrishnan K, K. W. Lee, "Computational Simulation on Scavenger Decapping Enzyme with 5-[(1S)-1-(3-chlorophenyl) ethoxy] quinazoline-2, 4-diamine." in The 103rd spring meeting of the Korean Chemical Society, COEX, Samsung City, Seoul, Korea, Apr. 16-17, 2009.
  • 83. Shalini John, *Sundarapandian, *Navaneethakrishnan K, Nawaz Khan, K. W. Lee, "Evaluation of Substituted 3-phenyl Isocoumarins as Bile Salt Activated Lipase Inhibitors by Molecular Docking Studies." in The 103rd spring meeting of the Korean Chemical Society, COEX, Samsung City, Seoul, Korea, Apr. 16-17, 2009.
  • 82. Sundarapandian, Navaneethakrishnan K, Sugunadevi Sakkiah, *Shalini John, K. W. Lee, "Molecular Dynamics Study for the Identification of Ligand Specificity in HDAC8 and HDAC11." in The 103rd spring meeting of the Korean Chemical Society, COEX, Samsung City, Seoul, Korea, Apr. 16-17, 2009.
  • 81. Prettina Lazar, K. W. Lee, "Molecular Modeling Study for ATP-Binding and its Effect in Hfq-RNA Complex." in The 103rd spring meeting of the Korean Chemical Society, COEX, Samsung City, Seoul, Korea, Apr. 16-17, 2009.
  • 80. Poornima, Navaneethakrishnan K, Sugunadevi Sakkiah, K. W. Lee, "Probing Ligand Binding Sites and Entry/Egress Channels of Human Cytochrome P450 4A22." in The 103rd spring meeting of the Korean Chemical Society, COEX, Samsung City, Seoul, Korea, Apr. 16-17, 2009.
  • 79. Navaneethakrishnan K, Poornima, Sundarapandian, K. W. Lee, "Possible Binding Sites and Entry Passage for Insulin B-Chain in ATP-dependent CodWX Protease using Molecular Modeling Study." in The 103rd spring meeting of the Korean Chemical Society, COEX, Samsung City, Seoul, Korea, Apr. 16-17, 2009.
  • 78. Y. Sohn, Y. Lee, C. Park, S. Hwang, S. Kim, K. W. Lee, "Pharmacophore Identification of Human Peroxisome Proliferater-Activated Receptorγ." in The 103rd spring meeting of the Korean Chemical Society, COEX, Samsung City, Seoul, Korea, Apr. 16-17, 2009.
  • 77. S. Hwang, Y. Lee, K. W. Lee, "Protein Engineering for New Epimerase through Flexible Molecular Docking Studies." in The 103rd spring meeting of the Korean Chemical Society, COEX, Samsung City, Seoul, Korea, Apr. 16-17, 2009.
  • 76. A. Baek, S. Kim, Y. Lee, K. W. Lee, "3D Structure Determination of Arabidopsis thaliana Small and Basic Intrinsic Proteins (AtSIP) by Homology Modeling Method." in The 103rd spring meeting of the Korean Chemical Society, COEX, Samsung City, Seoul, Korea, Apr. 16-17, 2009.
  • 75. C. Park, Y. Lee, K. W. Lee, "3D Structure Prediction of Full-length ANO1 using Multiple Fold-recognition Method." in The 103rd spring meeting of the Korean Chemical Society, COEX, Samsung City, Seoul, Korea, Apr. 16-17, 2009.
  • 74. M. Son, S. Kim, Y. Lee, K. W. Lee, "Molecular Docking Study of Quinone Oxidoreductase (NQO) with Quinone Derivatives as New Inhibitor Candidates." in The 103rd spring meeting of the Korean Chemical Society, COEX, Samsung City, Seoul, Korea, Apr. 16-17, 2009.
  • 73. S. Kim, Y. Lee, A. Baek, M. Son, K. W. Lee, "Interacting Site Prediction of Acetylcholinesterase with Cytochrome c by Molecular Docking and Molecular Dynamics Simulation Studies." in The 103rd spring meeting of the Korean Chemical Society, COEX, Samsung City, Seoul, Korea, Apr. 16-17, 2009.
  • 72.Y. Lee, S. Kim, K. W. Lee, "Binding Mode Analysis of Human AChE with Human Caveolin-1 using Macro-molecular Docking Study." in The 103rd spring meeting of the Korean Chemical Society, COEX, Samsung City, Seoul, Korea, Apr. 16-17, 2009.

2008

  • 71. A. Baek, S. Kim, Y. Lee, K. W. Lee, “Structural Comparison of Human Argonaute 2 Protein with the Other Three Human Argonaute Proteins.” in The 9th International Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Chungbuk National University (CBNU), Cheongju City, Korea, Nov. 13-14, 2008.
  • 70. S. Thangapandian, N. Krishnamoorthy, K. W. Lee, “Pharmacophore Identification and Molecular Modeling Studies on Histone Deacetylase Isoforms.” in The 9th International Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Chungbuk National University (CBNU), Cheongju City, Korea, Nov. 13-14, 2008.
  • 69. P. Lazar, Y. Lee, S. Kim, K. W. Lee, “Molecular Modeling Study for Apo and Holo form of a Novel Metalloenzyme-DOHH.” in The 9th International Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Chungbuk National University (CBNU), Cheongju City, Korea, Nov. 13-14, 2008.
  • 68. M. Son, S. Kim, Y. Lee, K. W. Lee, “Molecular Docking Study of Quinone Oxidoreductase with Quinone Derivatives.” in The 9th International Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Chungbuk National University (CBNU), Cheongju City, Korea, Nov. 13-14, 2008.
  • 67. S. Kim, Y. Lee, A. Baek, K. W. Lee, “Homology Modeling and Molecular Dynamics Simulation Study on TRESK-2 from Two Pore Domain Potassium Channel(K2P).” in The 9th International Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Chungbuk National University (CBNU), Cheongju City, Korea, Nov. 13-14, 2008.
  • 66. Y. Lee, S. Kim, K. W. Lee, “Developing a Reliable 3D Structure of Arabidopsis CDSP32.” in The 9th International Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Chungbuk National University (CBNU), Cheongju City, Korea, Nov. 13-14, 2008. [Outstanding Poster Award]
  • 65. S. Sakkiah, P. Gajendrarao, N. Krishnamoorthy, K. W. Lee, “Computer-Adided Inhibitor Design on Aurora Kinase A Protein.” in The 9th International Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Chungbuk National University (CBNU), Cheongju City, Korea, Nov. 13-14, 2008.
  • 64. N. Krishnamoorthy, P. Gajendrarao, S. Thangapandian, K. W. Lee, “Characterizing Structural Patterns of Nickel Interacting Proteins in Helicobacter pylori.” in The 9th International Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Chungbuk National University (CBNU), Cheongju City, Korea, Nov. 13-14, 2008.
  • 63. P. Gajendrarao, N. Krishnamoorthy, S. Sakkiah, K. W. Lee, “Bioinformatics Study for Evolutionary Trace of the Proteins Important for Chitin and cellulose Degradation.” in The 9th International Conference of Korean Society for Bioinformatics and Systems Biology (KSBSB), Chungbuk National University (CBNU), Cheongju City, Korea, Nov. 13-14, 2008.
  • 62. S. Kim, Y. Lee, A. Baek, K. W. Lee, "Homology Modeling and Molecular Dynamics Simulation Study for TREK-2 Potassium Channel." in The 102nd National Meeting of Korean Chemical Society, International Convention Center(ICC), Jeju, Korea, Oct. 16-17, 2008. [ PDF ]
  • 61. Y. Lee, S. Kim, K. W. Lee, "Structural Analysis of Arabidopsis NADPH-dependent Thioredoxin Reductase between Isotype A and C using Molecular Dynamics Simulations." in The 102nd National Meeting of Korean Chemical Society, International Convention Center(ICC), Jeju, Korea, Oct. 16-17, 2008. [ PDF ]
  • 60. P. Lazar, K. W. Lee, "Interaction Of Host Factor Protein With RNA Under Different Ionic Strengths - A Molecular Dynamics Simulation Approach." in Joint 7th ECCB Conference and 5th BITS Meeting, ECCB'08 - European Conference on Computational Biology, Cagliari, Sardinia-Italy, Sep 22-26, 2008.
  • 59. P. Gajendrarao, N. Krishnamoorthy, K. W. Lee, "Molecular Modeling Study of Orphan Human Cytochrome P450 4A22." in The 101st Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 17-28, 2008.
  • 58. N. Krishnamoorthy, P. Gajendrarao, K. W. Lee, "A Molecular Dynamics Approach for the Structural Behavior of Human Cytochrome P450 3A4 with Erythromycin and Ketoconazole." in The 101st Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 17-28, 2008.
  • 57. K. Bharatham, N. Bharatham, K. W. Lee, "Role of Inositol Hexakisphosphate Co-factor in TIR1-Substrate Interactions by Molecular Modeling study." in The 101st Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 17-28, 2008.
  • 56. N. Bharatham, K. Bharatham, K. W. Lee, "Molecular Dynamics Simulation Study for Pre- and Post-transfer Substrate Binding of ValRS Editing Reaction." in The 101st Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 17-28, 2008.
  • 55. Y. Lee, W. Y. Bang, K. W. Lee, "Binding Mode Analysis of Bacillus subtilis Obg with Ribosomal Protein L13 using Macro-molecular Docking Study." in The 101st Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 17-28, 2008.
  • 54. P. Lazar, K. W. Lee, "Effect of Ionic Strength on RNA-binding Protein Complex Conformation - A Molecular Dynamics Simulation Approach." in The 101st Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 17-28, 2008.
  • 53. S. Liu, K. W. Lee, "Molecular Modeling Study for Interaction Between urokinase-type Plasminogen Activator and Inhibitor." in The 101st Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 17-28, 2008.
  • 52. C. Park, Y. Lee, S. Kim, A. Baek, K. W. Lee, "Molecular Dynamics Simulation Study on Four Different PAZ Domains." in The 101st Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 17-28, 2008.
  • 51. A. Baek, J. Park, S. Kim, Y. Lee, C. Park, K. W. Lee, "Three Dimensional Structure Determination of Human Argonaute2 Protein by Homology Modeling Method." in The 101st Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 17-28, 2008.
  • 50. S. Kim, Y. Lee, C. Park, A. Baek, K. W. Lee, "Analysis of Four Domains Motion of A. aeolicus Argonaute Protein with siRNA using Molecular Dynamics Simulations." in The 101st Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 17-28, 2008.

2007

  • 49. P. Gajendrarao, N. Krishnamoorthy, S. Y. Lee, K. W. Lee, “Molecular Dynamics Simulations Study on Human Cytochrome P450 3A4 with Substrates: Mutation Effect of L293P.” in The International Conference on Bioinformatics and Drug Dicovery, University of Hyderabad, India, Dec. 20-22, 2007.
  • 48. N. Krishnamoorthy, P. Gajendrarao, S. Y. Lee, K. W. Lee, “Molecular Modeling Study Reveals the Complex Structure and the Mechanism of CodWX Protease.” in The International Conference on Bioinformatics and Drug Dicovery, University of Hyderabad, India, Dec. 20-22, 2007.
  • 47. K. Bharatham, N. Bharatham, J. D. Bahk, K. W. Lee,“Receptor Based Dynamic Pharmacophore Model for PTP1B Allosteric Site.” in The 8th International Conference of Korean Society for Bioinformatics(KSBI), KRIBB, Daejeon City, Korea, Nov. 15-16, 2007.
  • 46. N. Bharatham, K. Bharatham, J. D. Bahk, K. W. Lee,“Molecular Dynamics Simulation Study for Pre-transfer Editing Reaction of Valyl-tRNA Synthetase.” in The 8th International Conference of Korean Society for Bioinformatics(KSBI), KRIBB, Daejeon City, Korea, Nov. 15-16, 2007.
  • 45. E. Lee, Y. Lee, J. D. Bahk, K. W. Lee, “Molecular Docking Study and Homology Modeling for the Indol oxygenase.” in The 8th International Conference of Korean Society for Bioinformatics(KSBI), KRIBB, Daejeon City, Korea, Nov. 15-16, 2007.
  • 44. Y. Lee, J. D. Bahk, K. W. Lee, “Structural Analysis of Bacillus subtilis Obg with Nucleotides using Molecular Dynamics Simulations.” in The 8th International Conference of Korean Society for Bioinformatics(KSBI), KRIBB, Daejeon City, Korea, Nov. 15-16, 2007.
  • 43. S. Kim, Y. Lee, J. D. Bahk, K. W. Lee, “Molecular Modeling Study on P. furiosus Argonaute and A.aeolicus Argonaute Proteins.” in The 8th International Conference of Korean Society for Bioinformatics(KSBI), KRIBB, Daejeon City, Korea, Nov. 15-16, 2007.
  • 42. P. Lazar, K. Bharatham, J. D. Bahk, K. W. Lee, “Molecular Dynamics Study of the S. Aureus Hfq Reveals the Effect of Modified Chain Conformation on RNA Bound to Hfq.” in The 8th International Conference of Korean Society for Bioinformatics(KSBI), KRIBB, Daejeon City, Korea, Nov. 15-16, 2007.
  • 41. Y. Lee, N. Krishnamoorthy, K. W. Lee, “Linking of Two Key Domains in AtTDX using Computer Modelling Methods.” in The 99th Annual Meeting of Korean Chemical Society, COEX, Seoul, Korea, Apr. 19-20, 2007.
  • 40. Y. Lee, K. W. Lee, “Structural and Functional Insight for Ring Opening of Rare Sugar Molecules by D-Psicose 3-Epimerase.” in The 99th Annual Meeting of Korean Chemical Society, COEX, Seoul, Korea, Apr. 19-20, 2007.
  • 39. J. Park, Y. Lee, K. W. Lee, “Molecular Modeling Study on Peroxisome Proliferator-Activated Receptor-γ and its Ligands.” in The 99th Annual Meeting of Korean Chemical Society, COEX, Seoul, Korea, Apr. 19-20, 2007. [Outstanding Poster Award]
  • 38. P. Lazar, K. W. Lee, “Molecular Dynamics Simulation Study on RNA Binding Protein Hfq.” in The 99th Annual Meeting of Korean Chemical Society, COEX, Seoul, Korea, Apr. 19-20, 2007.
  • 37. S. Liu, N. Krishnamoorthy, K. W. Lee, “Molecular Dynamics Simulation Study for Interaction Between urokinasetype Plasminogen Activator and its Inhibitor.” in The 99th Annual Meeting of Korean Chemical Society, COEX, Seoul, Korea, Apr. 19-20, 2007.
  • 36. N. Krishnamoorthy, P. Gejendrarao, K. W. Lee, “MicroRNA - A Molecular Modeling Approach to Human Negative Gene Regulation.” in The 99th Annual Meeting of Korean Chemical Society, COEX, Seoul, Korea, Apr. 19-20, 2007.
  • 35. P. Gejendrarao, N. Krishnamoorthy K. W. Lee, “Molecular Modeling Studies with Wild Type and Mutant Structures of Human Microsomal Cytochrome P450.” in The 99th Annual Meeting of Korean Chemical Society, COEX, Seoul, Korea, Apr. 19-20, 2007.

2006

  • 34. Chandrasekar R., Dhanalakshmi T. R., K. C. Chang , K. W. Lee, “Molecular Evolution Structural Analysis of Galleria mellonella HCH Ferritins.” in The 5th International Conference of APBioNet as InCoB held in New Delhi, India on Dec. 18-20, 2006.
  • 33. N. Bharatham, K. Bharatham, K. W. Lee,“Receptor Based Pharmacophore Design for Non-Sugar Derivatives, a New Class of a-Glucosidase Inhibitors.” in The 5th International Conference of APBioNet as InCoB held in New Delhi, India on Dec. 18-20, 2006.
  • 32. K. Bharatham, N. Bharatham, K. W. Lee, “Pharmacophore Based PTP1B Inhibitor Design, virtual Screening and their Binding Analyses by MD Simulation Study.” in The 5th International Conference of APBioNet as InCoB held in New Delhi, India on Dec. 18-20, 2006.
  • 31. N. Krishnan, K. W. Lee,“Structure Prediction and Analysis for ATP-dependant Protease B. subtilis CodWX.” in The 7th International Conference of Korean Society for Bioinformatics(KSBI), POSTECH, Pohang City, Gyeongsang Buk-Do, Korea, Sept. 14-16, 2006.
  • 30. N. Krishnan, P. G. Rao, K. W. Lee, “B-Z DNA Structural Transition Study by Computer Simulations.” in The 7th International Conference of Korean Society for Bioinformatics(KSBI), POSTECH, Pohang City, Gyeongsang Buk-Do, Korea, Sept. 14-16, 2006.
  • 29. Y. Lee, N. Krishnamoorthy, K. W. Lee, “Molecular Dynamics Simulation Study on Adenosine Kinase.” in The 7th International Conference of Korean Society for Bioinformatics(KSBI), POSTECH, Pohang City, Gyeongsang Buk-Do, Korea, Sept. 14-16, 2006.
  • 28. K. Bharatham, N. Bharatham, P. A. Louis K. W. Lee, "Molecular Dynamics Simulation Study on Promyelocytic Leukemia Zinc Finger BTB/POZ Domain." in The 7th International Conference of Korean Society for Bioinformatics(KSBI), POSTECH, Pohang City, Gyeongsang Buk-Do, Korea, Sept. 14-16, 2006.
  • 27. K. Bharatham, N. Bharatham, K. W. Lee, “Pharmacophore Hypothesis Identification, Evaluation and Subsequent Screening by In silico methods for P56 LCK Inhibitors." in The 7th International Conference of Korean Society for Bioinformatics(KSBI), POSTECH, Pohang City, Gyeongsang Buk-Do, Korea, Sept. 14-16, 2006.
  • 26. N. Bharatham, K. Bharatham K. W. Lee,“Analysis of the Binding Mode for Sulfonamide Chalcone Derivatives, a New Class of α-Glucosidase Inhibitors.” in The 7th International Conference of Korean Society for Bioinformatics(KSBI), POSTECH, Pohang City, Gyeongsang Buk-Do, Korea, Sept. 14-16, 2006.
  • 25. J. Park, N. Bharatham, K. Bharatham, K. W. Lee,“Computer-Aided Drug Design on Peroxisome Proliferator-Activated Receptor-γ (PPARγ) Agonists.” in The 7th International Conference of Korean Society for Bioinformatics(KSBI), POSTECH, Pohang City, Gyeongsang Buk-Do, Korea, Sept. 14-16, 2006.
  • 24. S. Liu, N. Bharatham, K. Bharatham K. W. Lee, “Pharmacophore Identification and Molecular Docking Study on Tissue-type Plasminogen Activator (tPA) Inhibitor.” in The 7th International Conference of Korean Society for Bioinformatics(KSBI), POSTECH, Pohang City, Gyeongsang Buk-Do, Korea, Sept. 14-16, 2006.
  • 23. N. Bharatham, K. Bharatham, K. W. Lee, "Methionyl-tRNA Synthetase, an Unexploited Antibacterial Target Inhibitor Design." in The 97th Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 20-21, 2006.
  • 22. K. Bharatham, N. Bharatham, K. W. Lee, "PTP1B Inhibitor Design with Drug Like Properties Developed by In silico Methods." in The 97th Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 20-21, 2006.
  • 21. S. Liu, N. Bharatham, K. Bharatham, K. W. Lee, "Urokinase Inhibitor Design using Ligand and Receptor Based Methods." in The 97th Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 20-21, 2006.
  • 20. Y. Lee, N. Bharatham, K. Bharatham, E. Lee, K. W. Lee, "Docking Studies of Pharmacophore Model Based Adenosine Kinase Inhibitors." in The 97th Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 20-21, 2006.
  • 19. K. Navaneethakrishnan, L. Shui, K. W. Lee, "In silico Simulations of E. coli HslVU to Explore B. subtilis CodWX Structure." in The 97th Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 20-21, 2006.

2005

  • 18. K. Bharatham, N. Bharatham, K. W. Lee, "Novel Inhibitor Design for P56 LCK using Analog and Structure Based Drug Design." in BIOINFO2005, joint international conference of AASBi, InCoB and KSBI, BEXCO, Busan, KOREA, Sep. 22-24, 2005.
  • 17. N. Bharatham, K. Bharatham, S.Vadivelan, K. W. Lee, "Computer-Aided Inhibitor Design for Methionyl-tRNA Synthetase." in BIOINFO2005, joint international conference of AASBi, InCoB and KSBI, BEXCO, Busan, KOREA, Sep. 22-24, 2005. [Outstanding Poster Award]
  • 16. K. Bharatham, N. Bharatham, K. W. Lee, "Innovative Chemical Database Design for Drug Discovery." in Annual Meeting of Korean Society of Life Science , Gyeongsang National University, Jinju, KOREA, April 8-9, 2005.
  • 15. N. Bharatham, K. Bharatham, K. W. Lee, "Quantitative Structure-Activity Relationships (QSAR) and Molecular Docking Studies of P56 LCK Inhibitors." in Annual Meeting of Korean Society of Life Science , Gyeongsang National University, Jinju, KOREA, April 8-9, 2005.

2003

  • 14. Jinxia Deng, K. W. Lee, J. M. Briggs "Identify Potential Drugs Targeted to HIV-1 Integrase using Pharmacophore Models Developed Based on the MD Snapshots." in 8th Annual Structural Biology Symposium at UTMB Galveston, TX, USA, May 2-4, 2003
  • 13. K. W. Lee, J. M. Briggs "Amino Acid Discrimination by Threonines in the Editing Reaction of Class Ia tRNA Synthetases." in 8th Annual Structural Biology Symposium at UTMB Galveston, TX, USA, May 2-4, 2003
  • 12. Yuxin Zhal, K. W. Lee, E. Kirkbride, J. M. Briggs, S. A. Martinis "Mutational Analysis of the Leucyl-tRNA Synthetase Editing Active Site." in 8th Annual Structural Biology Symposium at UTMB Galveston, TX, USA, May 2-4, 2003
  • 11. J. Deng, K. W. Lee, J. M. Briggs "Prediction of New HIV-1 Integrase Lead Inhibitors using Dynamics Pharmacophore Models based on MD Snapshots." in the 225th ACS National Meeting, New Orleans, LA, USA, March 23-27, 2003
  • 10. A.Brigo, K. W. Lee, F. Fogolari, G. I. Mustata, J. M. Briggs "Comparative Molecular Dynamics Studies on HIV-1 Integrase Wild Type and T66I/M154I: New Insight into L-731,988 Binding Modes and Double Mutant Drug-resistance." in the 225th ACS National Meeting, New Orleans, LA, USA, March 23-27, 2003

2002

  • 9. K. W. Lee, J. M. Briggs "Molecular Dynamics Simulation of the HIV-1 Integrase Dimer Structure for Catalytic Core and C-Terminal Domains." in Keck Center Annual Research Conference at Tremont House Ballroom, Galveston, TX, USA, May 17-19, 2002
  • 8. J. Deng, K. W. Lee, J. M. Briggs "Identify Potential Drgus Targeted to HIV-1 Integrase Using Pharmacophore Models Developed Based on the MD Snapshots." in Keck Center Annual Research Conference at Tremont House Ballroom, Galveston, TX, USA, May 17-19, 2002

2001

  • 7. K. W. Lee, J. M. Briggs "Molecular Modeling of Polyamine binding to the OmpF Porin Protein." in Keck Center Annual Research Conference at Tremont House Ballroom, Galveston, TX, USA, Sept. 21, 2001
  • 6. K. W. Lee, R. S. Mursinna, S. Martinis, J. M. Briggs "Molecular Modeling to Elucidate the Role of the Conserved Threonine 252 Residue in the Editing Mechanism of Escherichia coli Leucyl-tRNA Synthetase" in Keck Center Annual Research Conference at Tremont House Ballroom, Galveston, TX, USA, Sept. 21, 2001
  • 5. R. S. Mursinna, K. W. Lee, S. Martinis, J. M. Briggs "Noncognate and Cognate Amino Acid Recognition and Editing by Escherichia coli Leucyl-tRNA Synthetase" in Keck Center Annual Research Conference at Tremont House Ballroom, Galveston, TX, USA, Sept. 21, 2001 [1st Award]
  • 4. K. W. Lee, J. M. Briggs "Molecular Dynamics Simulation Study of CP1 Domain of Escherichia coli Leucyl-tRNA Synthetase: The Role of T252 in Editing Reaction." in 6th Annual Structural Biology Symposium at UTMB Galveston, TX, USA, May 18-20, 2001
  • 3. R. S. Mursinna, T. L. Lincecun Jr., K. W. Lee, S. A. Martinis, J. M. Briggs "Cognate Amino Acid discrimination within the Escherichia coli Leucyl-tRNA Synthetase Editing Active Site." in 6th Annual Structural Biology Symposium at UTMB Galveston, TX, USA, May 18-20, 2001 [1st Award]
  • 2. R. S. Mursinna, K. W. Lee, J. M. Briggs, S. Martinis "Amino Acid discrimination within the E. coli Leucyl-tRNA Synthetase Editing Active Site." in SIGMA XI Contest, Houston, TX, USA, 2001 [1st Award]
  • 1. R. S. Mursinna, K.W. Lee, S. Martinis, J. M. Briggs "Cognate Amino Acid discrimination within the Escherichia coli Leucyl-tRNA Synthetase Editing Active Site." at University of Houston, Houston, TX, USA, 2001 [1st Award]


Invited Talks / 초청강연
  • 56. Yonsei University, Department of Material Science and Engineering, Seoul, Korea (2011/5/13)
  • 55. Kangwon National University, Colloge of Biomedical Science, Chuncheon, Korea (2011/3/4)
  • 54. APBC2011 (Asia-Pacific Bioinformatics Conference 2011: http://sysbio.kribb.re.kr/APBC2011) Songdo-Convensia, Incheon, Korea (2011/1/11-14)
  • 53. Changwon National University, Genetic Engineering Insititute, Changwon, Korea (November 11, 2010)
  • 52. Gyeongsang National University, Jinju, Korea (November 10, 2010)
  • 51. InCOB2010 (International Conference on Bioinformatics: http://incob10.hgc.jp), Waseda University, Tokyo, Japan (Sep. 26-28, 2010)
  • 50. Korea Food and Drug Administration, Seoul, Korea (July 14, 2010)
  • 49. Ahi Evran University, Department of Physics, Kirsehir, Turkey (June 29-July 8, 2010)
  • 48. Gyeongsang National University, College of Medicine, Jinju, Korea (May 28, 2010)
  • 47. CBI-KSBSB Joint Conference(BIOINFO 2009) Pusan, Korea (Nov. 4-7, 2010)
  • 46. Kyeong Hee University, KOGO Workshop, Seoul, Korea (July 14, 2009)
  • 45. Seoul National University, KSBSB Workshop, Seoul, Korea (July 3, 2009)
  • 44. Pusan National University, Department of Physics, Pusan, Korea (June 26, 2009)
  • 43. Pusan National University, Open Access Forum, Pusan, Korea (May 29, 2009)
  • 42. Korea Advanced Institute of Science and Technology (KAIST), Department of Life Science, Daejeon, Korea (May 26, 2009)
  • 41. Gwangju Institute of Science and Technology (GIST), Department of Life Science, Gwangju, Korea (May 20, 2009)
  • 40. Korea University at Sejong, Department of Bioinformatics, Jochiwon, Korea (March 24, 2009)
  • 39. Korea-Japan Protein Research Symposium, KIAS, Seoul, Korea (February 26, 2009)
  • 38. GNU Interdisciplinary Life Science Symposium, Gyeongsang National Univerisity, Jinju, Korea (February 6, 2009)
  • 37. Korean Society of Bioinformatics and Systems Biology (KSBSB) CADD symposium, Soongsil Univerisity, Seoul, Korea (February 3, 2009)
  • 36. Korea Genome Organization (KOGO) 2009 Winter symposium, Yongphyeong resort, Pyeongchang, Korea (January 15, 2009)
  • 35. Nanobio-Seoul 2008, Yonsei University, Seoul, Korea (October 31, 2008)
  • 34. Choongnam National University, College of Medicine, Seoul, Korea (October 2, 2008)
  • 33. Ewha Wamans University, College of Pharmacy, Seoul, Korea (September 18, 2008)
  • 32. Research Center of Yuhan (Pharmaceutical) Corporation, Yongin, Korea (August 29, 2008)
  • 31. Bioinformatics and Molecular Design and Research Center at Yonsei University, Seoul, Korea (August 21, 2008)
  • 30. Computer-Aided Drug Design Workshop at Sukmyeong Wamans University, Seoul, Korea (June 13, 2008)
  • 29. The 8th International Conference of Korean Society for Bioinformatics BIOINFO2007 at KRIBB, Daejeon, Korea (November 15, 2007)
  • 28. The 2nd GNU-MU(Missouri University) Joint Symposium at Missouri University, Columbia, MO, USA (October 3, 2007)
  • 27. The 3rd Molecular Computation Initiative Workshop, Pusan, Korea (August 27, 2007)
  • 26. Gyeongsang National University, College of Medicine, Jinju, Korea (August 7, 2007)
  • 25. Inje University, Department of Biotechnology, Kimhae, Korea (April 12, 2007)
  • 24. Jinju National University, Department of Animal Science & Technology, Jinju, Korea (March 20, 2007)
  • 23. Korea Institute for Advanced Study (KIAS), Workshop on Protein Science, Seoul, Korea (December 28, 2006)
  • 22. Gyeongsang National University, Department of Chemistry, Jinju, Korea (October 13, 2006)
  • 21. Sungkyunkwan University, Department of Chemistry, Suwon, Korea (October 12, 2006)
  • 20. University of Missouri, Columbia(UMC)-Gyeongsang National University(GNU) Joint Symposium, Jinju, Korea (October 10, 2006)
  • 19. KyungHee University, Department of Chemistry, Seoul, Korea (January 18, 2006)
  • 18. Gyeongnang University, Science-Gifted Education Center, Masan, Korea (November 5, 2005)
  • 17. Chungbuk National University, Department of Chemistry, Chungju, Korea (October 13, 2005)
  • 16. Gyeongsang National University, Science-Gifted Education Center, Jinju, Korea (July 25, 2005)
  • 15. Gyeongsang National University, National Core Research Center (NCRC)Summer Program, Jinju, Korea (July 14, 2005)
  • 14. Busan Science Academy(High School), Busan, Korea (June 17, 2005)
  • 13. Sunchon National University, Department of Chemistry, Sunchon, Korea (April 28, 2005)
  • 12. Yeungnam University, School of Biotechnology, Gyeongsan, Korea (April 8, 2005)
  • 11. Seoul National University, Department of Chemistry, Seoul, Korea (March 24, 2005)
  • 10. Gyeongsang National University, For Cowork with Samsung Advanced Institute of Technology (SAIT), Jinju, Korea (March 15, 2005)
  • 9. National Core Research Center (NCRC) Anuual Meeting, Muju, Korea (February 1, 2005)
  • 8. Gyeongsang National University, National Core Research Center (NCRC), Jinju, Korea (November 19, 2004)
  • 7. Seoul National University, College of Pharmacy, Seoul, Korea (October 25, 2004)
  • 6. Seoul National University, School of Life Science, Seoul, Korea (October 25, 2004)
  • 5. Gyeongsang National University, Next generation BioTechnology Reseach Association (NBTRA), Jinju, Korea (August 28, 2004)
  • 4. Gyeongsang National University, Department of Biochemistry, Jinju, Korea (July 19, 2004)
  • 3. Kangwon National University, Vascular System Research Center (VSRC), Chunchon, Korea (June 22, 2004)
  • 2. GIST (Gwangju Instititue of Science ans Technology), Department of Life Science, Gwangju, Korea (June 7, 2004)
  • 1. Yonsei University, Department of Biotechnolgy, Seoul, Korea (June 4, 2004)


Last updated on 23-May-2011



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