Evaluation of docking strategies for virtual screening of compound databases: cAMP-dependent serine/threonine kinase as an example

Journal of Molecular Graphics and Modelling

Volumn 16, Issue 3, 1998, Pages

  Godden, Jeffrey W ^a   Stahura, Florence ^a   Bajorath, Jürgen ^a,b  

^a MDS Inc   (Canada)

^b UNIVERSITY OF WASHINGTON   (United States)

Author keywords

Computational docking; Database screening; Ligand flexibility; Protein inhibitor complexes; Scoring functions

Indexed keywords

DATABASE SYSTEMS; DOCKING; PROTEINS; COMPUTATIONAL METHODS; COMPUTER SOFTWARE; COMPUTER SYSTEMS PROGRAMMING; ENZYMES; RESPONSE TIME (COMPUTER SYSTEMS); VIRTUAL REALITY;

BINDING CONFORMATIONS;

MOLECULAR GRAPHICS; DATABASE SYSTEMS;

CYCLIC AMP DEPENDENT PROTEIN KINASE; LIGAND; PROTEIN SERINE THREONINE KINASE;

ARTICLE; CONFORMATIONAL TRANSITION; DATA BASE; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN STRUCTURE; REPRODUCIBILITY;

COMPUTATIONAL DOCKING; DATABASE SCREENING; SOFTWARE PACKAGE DOCK;

EID: 0032218265     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(99)00003-0     Document Type: Article

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