An efficient computational method for calculating ligand binding affinities

PLoS ONE

Volumn 7, Issue 8, 2012, Pages

  Suenaga, Atsushi ^a,b   Okimoto, Noriaki ^b   Hirano, Yoshinori ^b   Fukui, Kazuhiko ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b RIKEN   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTICAL PARAMETERS; ARTICLE; BINDING AFFINITY; BODY SURFACE; CHEMICAL STRUCTURE; INTERMETHOD COMPARISON; JARZYNSKI IDENTITY; LIGAND BINDING; MATHEMATICAL ANALYSIS; MOLECULAR DOCKING; MOLECULAR MECHANICS; MOLECULAR MECHANICS GENERALIZED BORN SURFACE AREA; MOLECULAR MODEL; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN TARGETING; SIMULATION;

LIGANDS; MOLECULAR CONFORMATION; PROTEIN BINDING; PROTEINS; THERMODYNAMICS;

EID: 84865165896     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0042846     Document Type: Article

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