Wang S - Search Results

1

An extensive test of 14 scoring functions using the PDBbind refined set of 800 protein-ligand complexes.

Wang R, Lu Y, Fang X, Wang S. Wang R, et al. Among authors: wang s. J Chem Inf Comput Sci. 2004 Nov-Dec;44(6):2114-25. doi: 10.1021/ci049733j. J Chem Inf Comput Sci. 2004. PMID: 15554682

2

A web-based 3D-database pharmacophore searching tool for drug discovery.

Fang X, Wang S. Fang X, et al. Among authors: wang s. J Chem Inf Comput Sci. 2002 Mar-Apr;42(2):192-8. doi: 10.1021/ci010083i. J Chem Inf Comput Sci. 2002. PMID: 11911686

3

Further development and validation of empirical scoring functions for structure-based binding affinity prediction.

Wang R, Lai L, Wang S. Wang R, et al. Among authors: wang s. J Comput Aided Mol Des. 2002 Jan;16(1):11-26. doi: 10.1023/a:1016357811882. J Comput Aided Mol Des. 2002. PMID: 12197663 Free article.

4

Comparative evaluation of 11 scoring functions for molecular docking.

Wang R, Lu Y, Wang S. Wang R, et al. Among authors: wang s. J Med Chem. 2003 Jun 5;46(12):2287-303. doi: 10.1021/jm0203783. J Med Chem. 2003. PMID: 12773034

5

Molecular modeling of the three-dimensional structure of dopamine 3 (D3) subtype receptor: discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach.

Varady J, Wu X, Fang X, Min J, Hu Z, Levant B, Wang S. Varady J, et al. Among authors: wang s. J Med Chem. 2003 Oct 9;46(21):4377-92. doi: 10.1021/jm030085p. J Med Chem. 2003. PMID: 14521403

6

Web-based tools for mining the NCI databases for anticancer drug discovery.

Fang X, Shao L, Zhang H, Wang S. Fang X, et al. Among authors: wang s. J Chem Inf Comput Sci. 2004 Jan-Feb;44(1):249-57. doi: 10.1021/ci034209i. J Chem Inf Comput Sci. 2004. PMID: 14741034

7

Discovery of embelin as a cell-permeable, small-molecular weight inhibitor of XIAP through structure-based computational screening of a traditional herbal medicine three-dimensional structure database.

Nikolovska-Coleska Z, Xu L, Hu Z, Tomita Y, Li P, Roller PP, Wang R, Fang X, Guo R, Zhang M, Lippman ME, Yang D, Wang S. Nikolovska-Coleska Z, et al. Among authors: wang s, wang r. J Med Chem. 2004 May 6;47(10):2430-40. doi: 10.1021/jm030420+. J Med Chem. 2004. PMID: 15115387

8

The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures.

Wang R, Fang X, Lu Y, Wang S. Wang R, et al. Among authors: wang s. J Med Chem. 2004 Jun 3;47(12):2977-80. doi: 10.1021/jm030580l. J Med Chem. 2004. PMID: 15163179

9

Development and optimization of a binding assay for the XIAP BIR3 domain using fluorescence polarization.

Nikolovska-Coleska Z, Wang R, Fang X, Pan H, Tomita Y, Li P, Roller PP, Krajewski K, Saito NG, Stuckey JA, Wang S. Nikolovska-Coleska Z, et al. Among authors: wang s, wang r. Anal Biochem. 2004 Sep 15;332(2):261-73. doi: 10.1016/j.ab.2004.05.055. Anal Biochem. 2004. PMID: 15325294

10

Formation of a novel reversible cytochrome P450 spectral intermediate: role of threonine 303 in P450 2E1 inactivation.

Blobaum AL, Lu Y, Kent UM, Wang S, Hollenberg PF. Blobaum AL, et al. Among authors: wang s. Biochemistry. 2004 Sep 28;43(38):11942-52. doi: 10.1021/bi048882s. Biochemistry. 2004. PMID: 15379534

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