A Predictive Pattern of Computed Barriers for C−H Hydroxylation by Compound I of Cytochrome P450-Reference-Cited by-同舟云学术

A Predictive Pattern of Computed Barriers for C−H Hydroxylation by Compound I of Cytochrome P450

Published:2004-06-16 Issue:27 Volume:126 Page:8362-8363
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

de Visser Sam P.¹,Kumar Devesh¹,Cohen Shimrit¹,Shacham Ronen¹,Shaik Sason¹

Affiliation:

1. Department of Chemistry and the Lise Meitner-Minerva Center for Computational Quantum Chemistry, The Hebrew University of Jerusalem, 91904 Jerusalem, Israel

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja048528h

Reference18 articles.

1. Oxidizing species in the mechanism of cytochrome P450

2. The bioinorganic chemistry of iron in oxygenases and supramolecular assemblies

3. Common and Uncommon Cytochrome P450 Reactions Related to Metabolism and Chemical Toxicity

4. Theoretical studies on cytochrome P-450 mediated hydroxylation: a predictive model for hydrogen atom abstractions

5. Construction and Assessment of Models of CYP2E1: Predictions of Metabolism from Docking, Molecular Dynamics, and Density Functional Theoretical Calculations

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