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Storage of an Excess Proton in the Hydrogen-bonded Network of the D-pathway of Cytochrome c Oxidase: Identification of a Protonated Water Cluster

The mechanism of proton transport in the D-pathway of cytochrome c oxidase (CcO) is further elucidated through examining a protonated water/hydroxyl cluster inside the channel. The second generation multi-state empirical valence bond (MS-EVB2) model was employed in a molecular dynamics study based o...

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Main Authors: Xu, Jiancong, Sharpe, Martyn A., Qin, Ling, Ferguson-Miller, Shelagh, Voth, Gregory A.
Formato: Artigo
Idioma:Inglês
Publicado: 2007
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC2556150/
https://ncbi.nlm.nih.gov/pubmed/17309257
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja067360s
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