Is the Protein Surrounding the Active Site Critical for Hydrogen Peroxide Reduction by Selenoprotein Glutathione Peroxidase? An ONIOM Study-Reference-Cited by-同舟云学术

Is the Protein Surrounding the Active Site Critical for Hydrogen Peroxide Reduction by Selenoprotein Glutathione Peroxidase? An ONIOM Study

Published:2006-06-16 Issue:27 Volume:110 Page:13608-13613
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Prabhakar Rajeev¹,Vreven Thom¹,Frisch Michael J.¹,Morokuma Keiji¹,Musaev Djamaladdin G.¹

Affiliation:

1. Cherry Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322, and Gaussian, Inc., 340 Quinnipiac Street, Building 40, Wallingford, Connecticut 06492

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0619181

Reference44 articles.

1. A comparative study of various computational approaches in calculating the structure of pyridoxal 5′-phosphate (PLP)-dependent β-lyase protein. The importance of protein environment

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

3. Quantum Chemical Studies of Intermediates and Reaction Pathways in Selected Enzymes and Catalytic Synthetic Systems

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