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Charge Delocalization in Proton Channels, I: The Aquaporin Channels and Proton Blockage

The explicit contribution to the free energy barrier and proton conductance from the delocalized nature of the excess proton is examined in aquaporin channels using an accurate all-atom molecular dynamics computer simulation model. In particular, the channel permeation free energy profiles are calcu...

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Hoofdauteurs: Chen, Hanning, Ilan, Boaz, Wu, Yujie, Zhu, Fangqiang, Schulten, Klaus, Voth, Gregory A.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: Biophysical Society 2007
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Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC1697834/
https://ncbi.nlm.nih.gov/pubmed/17056733
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.106.091934
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