Site of metabolism prediction on cytochrome P450 2C9: A knowledge-based docking approach

Journal of Computer-Aided Molecular Design

Volumn 24, Issue 5, 2010, Pages 399-408

  Tarcsay, Ákos ^a,b   Kiss, Róbert ^a   Keserű, György M ^a,b  

^a GEDEON RICHTER LTD   (Hungary)

^b BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

Author keywords

CYP 2C9; Docking; Expert system; Prediction; Site of metabolism

Indexed keywords

BIOMOLECULES; CRYSTAL STRUCTURE; EXPERT SYSTEMS; FORECASTING; METABOLISM; PHYSIOLOGY; SITE SELECTION;

BINDING-SITES; CYP 2C9; CYTOCHROMES P450; DOCKING; KNOWLEDGE BASED; KNOWLEDGE-BASED METHODS; NOVEL STRUCTURES; PROOF OF CONCEPT; SITE OF METABOLISM; STRUCTURE-BASED;

METABOLITES;

CYTOCHROME P450 2C9;

ARTICLE; BINDING SITE; CONTROLLED STUDY; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; ENZYME METABOLISM; ENZYME STRUCTURE; INTERMETHOD COMPARISON; METABOLITE; MOLECULAR DOCKING; PREDICTION; PRIORITY JOURNAL;

EID: 77953322016     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-010-9347-3     Document Type: Article

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