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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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Dettagli Bibliografici
Pubblicato in:Proc Natl Acad Sci U S A
Autori principali: Liang, Ruibin, Swanson, Jessica M. J., Peng, Yuxing, Wikström, Mårten, Voth, Gregory A.
Natura: Artigo
Lingua:Inglês
Pubblicazione: National Academy of Sciences 2016
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Accesso online: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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