Role of binding entropy in the refinement of protein-ligand docking predictions: Analysis based on the use of 11 scoring functions

Journal of Computational Chemistry

Volumn 28, Issue 8, 2007, Pages 1364-1372

  Ruvinsky, Anatoly M ^a  

^a UNIVERSITY OF KANSAS   (United States)

Author keywords

Binding affinity; Cluster occupancy; Entropy; Protein ligand docking; Scoring function

Indexed keywords

BINDING AFFINITY; CLUSTER OCCUPANCY; PROTEIN-LIGAND DOCKING; SCORING FUNCTION;

COMPLEXATION; FUNCTION EVALUATION; PROTEINS;

ENTROPY;

DRUG; LIGAND; PROTEIN;

ARTICLE; BIOLOGY; CLUSTER ANALYSIS; COMPUTER SIMULATION; ENTROPY; METABOLISM; METHODOLOGY; PROTEIN BINDING;

CLUSTER ANALYSIS; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; ENTROPY; LIGANDS; PHARMACEUTICAL PREPARATIONS; PROTEIN BINDING; PROTEINS;

EID: 34248358986     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20580     Document Type: Article

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