Docking flexible ligands in proteins with a solvent exposure- and distance-dependent dielectric function

Journal of Computer-Aided Molecular Design

Volumn 24, Issue 2, 2010, Pages 91-105

  Garden, Daniel P ^a   Zhorov, Boris S ^a  

^a MCMASTER UNIVERSITY   (Canada)

Author keywords

Electrostatic interactions; Force fields; Generalized coordinates; Monte Carlo minimization; ZMM program

Indexed keywords

ATOMS; DISSOCIATION; ELECTROSTATICS; LIBRARIES; MONTE CARLO METHODS; PERMITTIVITY; PROTEINS; SOLVENTS;

DIELECTRIC FUNCTIONS; DISTANCE DEPENDENT DIELECTRICS; FLEXIBLE LIGANDS; FORCEFIELDS; GENERALIZED COORDINATES; MINIMISATION; MONTE CARLO-MINIMIZATION; ROOT-MEAN-SQUARE DEVIATIONS; SOLVENT EXPOSURE; ZMM PROGRAM;

LIGANDS;

LIGAND; PROTEIN; SOLVENT;

ARTICLE; ATOM; BINDING SITE; BIOENERGY; COMPUTER PROGRAM; DATA ANALYSIS SOFTWARE; FLEXIBLE LIGAND DOCKING; FORCE; LIGAND BINDING; MATHEMATICAL ANALYSIS; MOLECULAR DOCKING; MONTE CARLO METHOD; PRIORITY JOURNAL; PROTEIN INTERACTION; SOLVENT EXPOSURE AND DISTANCE DEPENDENT DIELECTRIC FUNCTION; STATIC ELECTRICITY;

EID: 77950917551     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-009-9317-9     Document Type: Article

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