Rapid context-dependent ligand desolvation in molecular docking

Journal of Chemical Information and Modeling

Volumn 50, Issue 9, 2010, Pages 1561-1573

  Mysinger, Michael M ^a   Shoichet, Brian K ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; FREE ENERGY; MOLECULAR MODELING; MOLECULES;

ATOM DECOMPOSITION; CHARGED MOLECULE; COMPETING INTERACTIONS; CONTEXT DEPENDENT; DOCKING PROGRAMS; ENERGY PENALTIES; MOLECULAR DOCKING; MULTIPLE CONFIGURATIONS;

LIGANDS;

LIGAND;

ALGORITHM; ARTICLE; PROTEIN BINDING; RECEIVER OPERATING CHARACTERISTIC; SOLUBILITY;

ALGORITHMS; LIGANDS; PROTEIN BINDING; ROC CURVE; SOLUBILITY;

EID: 77957222180     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100214a     Document Type: Article

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