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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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| I publikationen: | Proc Natl Acad Sci U S A |
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| Huvudupphovsmän: | , , , , |
| Materialtyp: | Artigo |
| Språk: | Inglês |
| Publicerad: |
National Academy of Sciences
2016
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| Ämnen: | |
| Länkar: | 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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