GMCT: A Monte Carlo simulation package for macromolecular receptors

Journal of Computational Chemistry

Volumn 33, Issue 8, 2012, Pages 887-900

  Ullmann, R Thomas ^a   Ullmann, G Matthias ^a  

^a UNIVERSITÄT BAYREUTH   (Germany)

Author keywords

bioenergetics; cooperativity; electrochemical potential; free energy; ligand binding; membrane potential; Monte Carlo simulation; pKa; reduction potential

Indexed keywords

BINDING ENERGY; BINDING SITES; EMBEDDED SYSTEMS; FREE ENERGY; INTELLIGENT SYSTEMS; LIGANDS; MACROMOLECULES; OPEN SOURCE SOFTWARE; OPEN SYSTEMS;

BIOENERGETICS; COOPERATIVITY; ELECTROCHEMICAL POTENTIAL; LIGAND BINDING; MEMBRANE POTENTIALS; REDUCTION POTENTIAL;

MONTE CARLO METHODS;

EID: 84857356544     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.22919     Document Type: Article

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