Impact of scoring functions on enrichment in docking-based virtual screening: An application study on renin inhibitors

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 3, 2004, Pages 1123-1129

  Krovat, Eva M ^a   Langer, Thierry ^a  

^a UNIVERSITY OF INNSBRUCK   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTATIONAL METHODS; COMPUTER SOFTWARE; CONFORMATIONS; DATABASE SYSTEMS; DRUG PRODUCTS; ELECTROSTATICS; INTERPOLATION; OPTIMIZATION;

BINDING INTERACTIONS; COMPUTATIONAL COSTS; DOCKING-BASED VIRTUAL SCREENING; SCORING FUNCTIONS;

ENZYME INHIBITION;

LIGAND; PROTEIN; RENIN;

ARTICLE; DRUG ANTAGONISM; METABOLISM;

LIGANDS; PROTEINS; RENIN;

EID: 2942720960     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci0342728     Document Type: Article

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