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Article

Charge delocalization in proton channels, I: the aquaporin channels and proton blockage.

Biophysical journal - 1 Jan 2007

Chen Hanning, Ilan Boaz, Wu Yujie, Zhu Fangqiang, Schulten Klaus, Voth Gregory A

Abstract excerpt

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 calculated and compared for both a delocalized (fully Grotthuss shuttling) proton and a classical (nonshuttling)...

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Identifiers

PMID: 17056733
DOI: 10.1529/biophysj.106.091934
PMCID: PMC1697834

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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