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Linking Chemical Electron–Proton Transfer to Proton Pumping in Cytochrome c Oxidase: Broken-Symmetry DFT Exploration of Intermediates along the Catalytic Reaction Pathway of the Iron–Copper Dinuclear Complex
[Image: see text] After a summary of the problem of coupling electron and proton transfer to proton pumping in cytochrome c oxidase, we present the results of our earlier and recent density functional theory calculations for the dinuclear Fe-a(3)–Cu(B) reaction center in this enzyme. A specific cata...
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Principais autores: | , , , , |
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Formato: | Artigo |
Idioma: | Inglês |
Publicado em: |
American
Chemical Society
2014
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Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4095914/ https://ncbi.nlm.nih.gov/pubmed/24960612 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ic500363h |
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