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Multiscale simulations reveal key features of the proton-pumping mechanism in cytochrome c oxidase

Cytochrome c oxidase (CcO) reduces oxygen to water and uses the released free energy to pump protons across the membrane. We have used multiscale reactive molecular dynamics simulations to explicitly characterize (with free-energy profiles and calculated rates) the internal proton transport events t...

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Detalhes bibliográficos
Publicado no:Proc Natl Acad Sci U S A
Main Authors: Liang, Ruibin, Swanson, Jessica M. J., Peng, Yuxing, Wikström, Mårten, Voth, Gregory A.
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2016
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Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4941487/
https://ncbi.nlm.nih.gov/pubmed/27339133
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1601982113
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