Computational analysis of ligand binding dynamics at the intermolecular hot spots with the aid of simulated tempering and binding free energy calculations

Journal of Molecular Graphics and Modelling

Volumn 22, Issue 5, 2004, Pages 335-348

  Verkhivker, Gennady M ^a  

^a PFIZER INC   (United States)

Author keywords

Computational analysis; Human growth hormone; Ligand binding dynamics

Indexed keywords

BINDING ENERGY; CELL CULTURE; COMPLEXATION; FREE ENERGY; HORMONES; SINTERING;

BINDING DYNAMICS; LIGANDS;

MOLECULAR DYNAMICS;

BENZIMIDAZOLE; GROWTH HORMONE; GROWTH HORMONE RECEPTOR;

BINDING AFFINITY; CONFERENCE PAPER; CONFORMATION; ENERGY; LIGAND BINDING; MATHEMATICAL COMPUTING; MUTATION; PRIORITY JOURNAL; PROTEIN INTERACTION; SIMULATION; WILD TYPE;

COMPUTATIONAL BIOLOGY; GLYCINE; HUMAN GROWTH HORMONE; HUMANS; KINETICS; LIGANDS; MEMBRANE PROTEINS; MONTE CARLO METHOD; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; THERMODYNAMICS;

EID: 1942487741     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2003.12.001     Document Type: Conference Paper

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