Method for computing protein binding affinity

Journal of Computational Chemistry

Volumn 26, Issue 3, 2005, Pages 243-251

  Karney, Charles F F ^a,c   Ferrara, Jason E ^a   Brunner, Stephan ^b  

^a SARNOFF CORPORATION   (United States)

^b Locus Pharmaceuticals Inc   (United States)

^c EPFL   (Switzerland)

Author keywords

Binding affinity; Equilibrium constants; Free energy; Monte Carlo methods; Proteins

Indexed keywords

BINDING AFFINITY; EQUILIBRIUM CONSTANTS; LIGANDS; PROTEIN STRUCTURE;

BINDING ENERGY; BOUNDARY CONDITIONS; COMPUTER SIMULATION; DISSOCIATION; FREE ENERGY; MATHEMATICAL MODELS; MONTE CARLO METHODS; SYNTHESIS (CHEMICAL);

PROTEINS;

LIGAND;

ARTICLE; BINDING SITE; CHEMICAL MODEL; COMPUTER SIMULATION; MONTE CARLO METHOD; PHYSIOLOGY; PROTEIN BINDING; THERMODYNAMICS;

BINDING SITES; COMPUTER SIMULATION; LIGANDS; MODELS, CHEMICAL; MONTE CARLO METHOD; PROTEIN BINDING; THERMODYNAMICS;

EID: 13444280308     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20167     Document Type: Article

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