Effect of the axial cysteine ligand on the electronic structure and reactivity of high-valent iron(IV) oxo-porphyrins (Compound I): A theoretical study-Reference-Cited by-同舟云学术

Effect of the axial cysteine ligand on the electronic structure and reactivity of high-valent iron(IV) oxo-porphyrins (Compound I): A theoretical study

Published:2005-11-30 Issue:15 Volume:26 Page:1600-1611
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Choe Yoong-Kee,Nagase Shigeru

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference97 articles.

1. Mechanisms of cytochrome P‐450 catalysis

2. Heme-Containing Oxygenases

3. Protein engineering of cytochrome P450cam

4. Cytochrome P450 monooxygenases

5. Mechanism of Oxidation Reactions Catalyzed by Cytochrome P450 Enzymes

Cited by 12 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. In Silico simulation of Cytochrome P450-Mediated metabolism of aromatic amines: A case study of N-Hydroxylation;Ecotoxicology and Environmental Safety;2022-06

2. Regression Modeling for the Prediction of Hydrogen Atom Transfer Barriers in Cytochrome P450 from Semi‐empirically Derived Descriptors;Chemistry–Methods;2022-05-17

3. Boosting oxygen reduction and permeability properties of doped iron-porphyrin membrane cathode in microbial fuel cells;Bioresource Technology;2021-01

4. Does a higher metal oxidation state necessarily imply higher reactivity toward H-atom transfer? A computational study of C–H bond oxidation by high-valent iron-oxo and -nitrido complexes;Dalton Transactions;2014

5. Quantum chemical studies on the role of water microsolvation in interactions between group 12 metal species (Hg2+, Cd2+, and Zn2+) and neutral and deprotonated cysteines;Theoretical Chemistry Accounts;2011-06-23