期刊
BIOINFORMATICS
卷 31, 期 7, 页码 1136-1137出版社
OXFORD UNIV PRESS
DOI: 10.1093/bioinformatics/btu761
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资金
- Pathology and Immunology Department of Washington University in Saint Louis
A Summary: Cytochrome P450 enzymes (P450s) are metabolic enzymes that process the majority of FDA-approved, small-molecule drugs. Understanding how these enzymes modify molecule structure is key to the development of safe, effective drugs. XenoSite server is an online implementation of the XenoSite, a recently published computational model for P450 metabolism. XenoSite predicts which atomic sites of a molecule-sites of metabolism (SOMs)-are modified by P450s. XenoSite server accepts input in common chemical file formats including SDF and SMILES and provides tools for visualizing the likelihood that each atomic site is a site of metabolism for a variety of important P450s, as well as a flat file download of SOM predictions.
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