Combined Quantum Mechanical and Molecular Mechanical Simulations of One- and Two-Electron Reduction Potentials of Flavin Cofactor in Water, Medium-Chain Acyl-CoA Dehydrogenase, and Cholesterol Oxidase-Reference-Cited by-同舟云学术

Combined Quantum Mechanical and Molecular Mechanical Simulations of One- and Two-Electron Reduction Potentials of Flavin Cofactor in Water, Medium-Chain Acyl-CoA Dehydrogenase, and Cholesterol Oxidase

Published:2007-06-14 Issue:26 Volume:111 Page:5729-5742
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Bhattacharyya Sudeep¹,Stankovich Marian T.¹,Truhlar Donald G.¹,Gao Jiali¹

Affiliation:

1. Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant Street SE, Smith Hall, Minneapolis, Minnesota 55455-0431

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp071526%2B

Reference116 articles.

1. Proton-Coupled Electron Transfer Reactions: Evaluation of Rate Constants

2. PROTON-COUPLED ELECTRON TRANSFER

3. Mechanisms of flavoprotein-catalyzed reactions

4. One and two electron transfer pathways in the photoreduction of flavin

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