2D SMARTCyp reactivity-based site of metabolism prediction for major drug-metabolizing cytochrome P450 enzymes

Journal of Chemical Information and Modeling

Volumn 52, Issue 6, 2012, Pages 1698-1712

  Liu, Ruifeng ^a   Liu, Jin ^a   Tawa, Greg ^a   Wallqvist, Anders ^a  

^a U S ARMY MEDICAL RESEARCH AND MATERIEL COMMAND   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; COMPUTER SOFTWARE; ENZYMES; FORECASTING; SUBSTRATES;

COMPUTATIONAL PROCEDURES; CYTOCHROME P450 ENZYMES; DRUG-METABOLIZING ENZYMES; JAVA SOURCE CODES; METABOLIC REACTIONS; METABOLIC REACTIVITY; RATIONAL DRUG DESIGNS; RECOGNITION FEATURES;

METABOLISM;

CYTOCHROME P450; DRUG; ISOENZYME;

ARTICLE; BIOCATALYSIS; HUMAN; METABOLISM; X RAY CRYSTALLOGRAPHY;

BIOCATALYSIS; CRYSTALLOGRAPHY, X-RAY; CYTOCHROME P-450 ENZYME SYSTEM; HUMANS; ISOENZYMES; PHARMACEUTICAL PREPARATIONS;

EID: 84862894909     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci3001524     Document Type: Article

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