Free energies of binding of R- and S-propranolol to wild-type and F483A mutant cytochrome P450 2D6 from molecular dynamics simulations

European Biophysics Journal

Volumn 36, Issue 6, 2007, Pages 589-599

  De Graaf, Chris ^a   Oostenbrink, Chris ^a   Keizers, Peter H J ^a   Van Vugt Lussenburg, Barbara M A ^a   Commandeur, Jan N M ^a   Vermeulen, Nico P E ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

CYTOCHROME P450 2D6; MUTANT PROTEIN; PROPRANOLOL;

ACCURACY; ARTICLE; BINDING AFFINITY; ENANTIOMER; ENERGY TRANSFER; ENZYME BINDING; MOLECULAR DYNAMICS; REPRODUCIBILITY; SIMULATION; THERMODYNAMICS; WILD TYPE;

EID: 34347390240     PISSN: 01757571     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00249-006-0126-y     Document Type: Article

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