Dynamics and hydration of the active sites of mammalian cytochromes P450 probed by molecular dynamics simulations

Current Drug Metabolism

Volumn 13, Issue 2, 2012, Pages 177-189

  Hendrychová, Tereza ^a   Berka, Karel ^a   Navrátilová, Veronika ^a   Anzenbacher, Pavel ^a   Otyepka, Michal ^a  

^a PALACKÝ UNIVERSITY   (Czech Republic)

Author keywords

Active site; Channels; Cytochrome P450; Flexibility; Main chain; Molecular dynamics; Side chain; Solvation

Indexed keywords

AMINO ACID; CYTOCHROME P450; CYTOCHROME P450 2A6; CYTOCHROME P450 2B4; CYTOCHROME P450 2C9; CYTOCHROME P450 2D6; CYTOCHROME P450 2E1; CYTOCHROME P450 3A4;

ARTICLE; ENZYME ACTIVE SITE; ENZYME STRUCTURE; HUMAN; HYDRATION; MOLECULAR DYNAMICS; MOLECULAR MODEL; MOLECULAR PROBE;

ANIMALS; CATALYTIC DOMAIN; CYTOCHROME P-450 ENZYME SYSTEM; HUMANS; MOLECULAR DYNAMICS SIMULATION; RABBITS;

EID: 84857532829     PISSN: 13892002     EISSN: 18755453     Source Type: Journal    
DOI: 10.2174/138920012798918408     Document Type: Article

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