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연구업적
(Achievements)
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[연구논문/Research Papers (대표논문/Selected List)]
K. Bharatham, N. Bharatham, 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 (2008, in press). [ PDF ]
K. Bharatham, N. Bharatham, 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 ] (Co-First Authors)
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 ]
S. B. Rho, K. W. Lee, S.-H. Lee, K. Park, J.-H. Lee " Identification
of Apotosis-Related Residues in Human Thymosin b-10 by Mutational Analysis and
Computational Modeling." J. Biol. Chem. 280(30) 34003-34007 (2005.10). [ PDF ] (Co-First Authors)
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 gamma-phosphate
Leads to the Improved Fidelity of HIV-1 Reverse Transcriptase." Nucleic Acids Res. 33(15) 4865-4873 (2005.09).
[ PDF ]
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 ]
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 ]
K. W. Lee ,
J. M. Briggs "Molecular Modeling Study for the Editing Activity
of E. coli Leucyl-tRNA Synthetase: Two Amino Acid Binding
Sites in the CP1 domain." PROTEINS: Structure, Function and
Bioinformatics 54(4) 693-704 (2004.03). [ PDF ]
[ 전체목록보기(Full List) ]
[미국특허/U.S. Patent]
1. A. Volkov, C. Colbert, I. Pan, A. Kraltcheva, M. Reddy, N. Battulga, M. Rea, K. W. Lee,
B. Mulder, S. Hardin "A Method for Analyzing
Fluorescent Resonance Energy Transfer Event at the Single Molecular Level." US Patent
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
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[학술회의 발표/Poster Presentation (일부/Selected)]
P. Lazar, K. W. Lee, "Effect of Ionic Strength on RNA-binding Protein Complex Conformation - A Molecular Dynamics Simulation Approach." in The 101th
Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 17-28, 2008.
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 101th Annual Meeting of Korean Chemical Society, KINTEX, Goyang City, Kyeonggi-Do, Korea, Apr. 17-28, 2008.
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.
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.
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.
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.
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.
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.
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.
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)
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.
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.
[ 전체목록보기(Full List) ]
[초청강연/Invited Talks (일부/Selected)]
연세대학교 분자설계연구소 Bioinformatics and Molecular Design and Research Center at Yonsei University, Seoul, Korea (August 21, 2008)
숙명여대 신약설계워크샵 Computer-Aided Drug Design Workshop at Sukmyeong Wamans University, Seoul, Korea (June 13, 2008)
한국생물정보학회 The 8th International Conference of Korean Society for Bioinformatics BIOINFO2007 at KRIBB, Daejeon, Korea (November 15, 2007)
미국 미조리대학 생명과학부 The 2nd GNU-MU(Missouri University) Joint Symposium at Missouri University, Columbia, MO, USA (October 3, 2007)
경희대학교 화학과 KyungHee University, Department of Chemistry, Seoul, KOREA, January 18, 2006
충북대학교 화학과 Chungbuk National University, Department of Chemistry, Chungju, KOREA, October 13, 2005
순천대학교 화학과 Sunchon National University, Department of Chemistry, Sunchon, KOREA, April 28, 2005
영남대학교 생명공학부 Yeungnam University, School of Biotechnology, Gyeongsan, KOREA, April 8, 2005
서울대학교 화학부 Seoul National University, Department of Chemistry, Seoul, KOREA, March 24, 2005
서울대학교 약학대학 Seoul National University, College of Pharmacy, Seoul, KOREA, October 25, 2004
서울대학교 생명과학부 Seoul National University, School of Life Science, Seoul, KOREA, October 25, 2004
강원대학교 혈관연구센터 Kangwon National University, Vascular System Research Center (VSRC), Chunchon, KOREA,
June 22, 2004
광주 과학기술원 생명과학과 GIST (Gwangju Instititue of Science ans Technology), Department of Life Science,
Gwangju, KOREA, June 7, 2004
연세대학교 생명공학과 Yonsei University, Department of Biotechnolgy, Seoul, KOREA, June 4, 2004
[ 전체목록보기(Full List) ]
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