Predicting Regioselectivity and Lability of Cytochrome P450 Metabolism Using Quantum Mechanical Simulations
Author:
Affiliation:
1. Optibrium Ltd., 7221 Cambridge Research Park, Beach Drive, Cambridge CB25 9TL, U.K.
Funder
Seventh Framework Programme
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.6b00233
Reference40 articles.
1. Cytochrome P450s and other enzymes in drug metabolism and toxicity
2. 57 varieties: the human cytochromes P450
3. P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations
4. Cytochrome P450 structure–function: insights from molecular dynamics simulations
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