SMARTCyp: A 2D method for prediction of cytochrome P450-mediated drug metabolism

ACS Medicinal Chemistry Letters

Volumn 1, Issue 3, 2010, Pages 96-100

  Rydberg, Patrik ^a   Gloriam, David E ^a   Zaretzki, Jed ^b   Breneman, Curt ^b   Olsen, Lars ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b Research Rensselaer Polytechnic Institute   (United States)

Author keywords

Cytochromes P450; density functional theory; DFT; heme; metabolism

Indexed keywords

CYTOCHROME P450 3A4; ISOENZYME;

ARTICLE; COMPUTER MODEL; COMPUTER PREDICTION; COMPUTER PROGRAM; DRUG METABOLISM; ENZYME STRUCTURE; ENZYME SUBSTRATE; PRIORITY JOURNAL;

EID: 77953932263     PISSN: None     EISSN: 19485875     Source Type: Journal    
DOI: 10.1021/ml100016x     Document Type: Article

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