Broken Symmetry DFT Calculations/Analysis for Oxidized and Reduced Dinuclear Center in Cytochrome c Oxidase: Relating Structures, Protonation States, Energies, and Mössbauer Properties in ba3 Thermus thermophilus
Author:
Affiliation:
1. Department of Integrative Structural and Computational Biology, CB213, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, United States
Funder
National Institutes of Health
Publisher
American Chemical Society (ACS)
Subject
Inorganic Chemistry,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.5b00700
Reference60 articles.
1. Active site intermediates in the reduction of O2 by cytochrome oxidase, and their derivatives
2. Proton-Coupled Electron Transfer in Cytochrome Oxidase
3. Cytochrome c oxidase: Intermediates of the catalytic cycle and their energy-coupled interconversion
4. Proton transfer in ba3 cytochrome c oxidase from Thermus thermophilus
5. Structure at 2.8 Å resolution of cytochrome c oxidase from Paracoccus denitrificans
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