Agency
National Institute of Health (NIH)
Institute
National Institute of General Medical Sciences (NIGMS)
Type
Research Project (R01)
Project #
5R01GM031497-14
Application #
2176156
Study Section
Molecular and Cellular Biophysics Study Section (BBCA)
Project Start
1983-03-01
Project End
1998-06-30
Budget Start
1996-07-01
Budget End
1997-06-30
Support Year
14
Fiscal Year
1996
Total Cost
Indirect Cost
Name
University of California San Francisco
Department
Pharmacology
Type
Schools of Pharmacy
DUNS #
073133571
City
San Francisco
State
CA
Country
United States
Zip Code
94143
Kang, Xinshan; Shafer, Richard H; Kuntz, Irwin D (2004) Calculation of ligand-nucleic acid binding free energies with the generalized-born model in DOCK. Biopolymers 73:192-204
Fujii, Naoaki; Haresco, Jose J; Novak, Kathleen A P et al. (2003) A selective irreversible inhibitor targeting a PDZ protein interaction domain. J Am Chem Soc 125:12074-5
Greenbaum, Doron C; Arnold, William D; Lu, Felice et al. (2002) Small molecule affinity fingerprinting. A tool for enzyme family subclassification, target identification, and inhibitor design. Chem Biol 9:1085-94
Huo, Shuanghong; Wang, Junmei; Cieplak, Piotr et al. (2002) Molecular dynamics and free energy analyses of cathepsin D-inhibitor interactions: insight into structure-based ligand design. J Med Chem 45:1412-9
Laboissiere, Martha C A; Young, Malin M; Pinho, Rilva G et al. (2002) Computer-assisted mutagenesis of ecotin to engineer its secondary binding site for urokinase inhibition. J Biol Chem 277:26623-31
Aronov, A M; Munagala, N R; Kuntz, I D et al. (2001) Virtual screening of combinatorial libraries across a gene family: in search of inhibitors of Giardia lamblia guanine phosphoribosyltransferase. Antimicrob Agents Chemother 45:2571-6
Ewing, T J; Makino, S; Skillman, A G et al. (2001) DOCK 4.0: search strategies for automated molecular docking of flexible molecule databases. J Comput Aided Mol Des 15:411-28
Lamb, M L; Burdick, K W; Toba, S et al. (2001) Design, docking, and evaluation of multiple libraries against multiple targets. Proteins 42:296-318
Sullivan, D C; Kuntz, I D (2001) Conformation spaces of proteins. Proteins 42:495-511
Pegg, S C; Haresco, J J; Kuntz, I D (2001) A genetic algorithm for structure-based de novo design. J Comput Aided Mol Des 15:911-33

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