OptiDock: Virtual HTS of combinatorial libraries by efficient sampling of binding modes in product space

Journal of Combinatorial Chemistry

Volumn 6, Issue 4, 2004, Pages 530-539

  Sprous, Dennis G ^a,b   Lowis, David R ^a   Leonard, Joseph M ^a,c   Heritage, Trevor ^a   Burkett, Steven N ^a   Baker, David S ^a   Clark, Robert D ^a  

^a TRIPOS INC   (United States)

^b APT Therapeutics ^*  (United States)

^c ABBOTT LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTIC METHOD; ARTICLE; BINDING KINETICS; CALCULATION; CHEMICAL STRUCTURE; COMBINATORIAL CHEMISTRY; COMBINATORIAL LIBRARY; CONFORMATION; HIGH THROUGHPUT SCREENING; PRODUCTIVITY; SAMPLING; STRUCTURE ANALYSIS; SUBSTITUTION REACTION; VIRTUAL REALITY;

BINDING SITES; COMBINATORIAL CHEMISTRY TECHNIQUES; LIGANDS; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PROTEINS; SOFTWARE; THERMODYNAMICS;

EID: 4143071585     PISSN: 15204766     EISSN: None     Source Type: Journal    
DOI: 10.1021/cc034068x     Document Type: Article

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