Free Energies of Binding of Polychlorinated Biphenyls to the Estrogen Receptor from a Single Simulation

Proteins: Structure, Function and Genetics

Volumn 54, Issue 2, 2004, Pages 237-246

  Oostenbrink, Chris ^a   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

Binding modes; Molecular dynamics simulation; Single step perturbation; Soft core interaction

Indexed keywords

17 HYDROXYLATED POLYCHLORINATED BIPHENYL; ESTROGEN RECEPTOR; POLYCHLORINATED BIPHENYL; UNCLASSIFIED DRUG;

ACCURACY; ARTICLE; CALCULATION; CHEMICAL BINDING; COMPUTER SIMULATION; ENERGY TRANSFER; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PRIORITY JOURNAL; SIGNAL TRANSDUCTION; THERMODYNAMICS;

CARBON; COMPUTER SIMULATION; LIGANDS; MODELS, MOLECULAR; POLYCHLORINATED BIPHENYLS; PROTEIN BINDING; PROTEIN CONFORMATION; RECEPTORS, ESTROGEN; THERMODYNAMICS;

EID: 0346458810     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10558     Document Type: Article

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