Blind docking of 260 protein-ligand complexes with eadock 2.0

Journal of Computational Chemistry

Volumn 30, Issue 13, 2009, Pages 2021-2030

  Grosdidier, Aurélien ^a   Zoete, Vincent ^a   Michielin, Olivier ^a  

^a SWISS INSTITUTE OF BIOINFORMATICS   (Switzerland)

Author keywords

Blind docking; Eadock; Evolutionary algorithms; Rational drug design; Small ligand docking

Indexed keywords

BINDING MODES; BLIND DOCKING; EADOCK; HIGH QUALITY; INITIAL STRUCTURES; LIGAND-PROTEIN COMPLEXES; MANUAL INSPECTION; MODERN DRUG DEVELOPMENT; MOLECULAR DOCKING; PROTEIN DATABASE; PROTEIN-LIGAND COMPLEXES; RATE INCREASE; RATIONAL DRUG DESIGN; SMALL LIGAND DOCKING;

BINDING ENERGY; COMPLEXATION; CRYSTAL STRUCTURE; EVOLUTIONARY ALGORITHMS; LEACHING; LIGANDS; METAL IONS;

DOCKING;

LIGAND; PROTEIN;

ALGORITHM; ARTICLE; CHEMISTRY; COMPUTER PROGRAM; DRUG DESIGN; METABOLISM; PROTEIN BINDING;

ALGORITHMS; DRUG DESIGN; LIGANDS; PROTEIN BINDING; PROTEINS; SOFTWARE;

EID: 69949130285     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21202     Document Type: Article

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