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Interfacial water molecules at biological membranes: Structural features and role for lateral proton diffusion

Proton transport at water/membrane interfaces plays a fundamental role for a myriad of bioenergetic processes. Here we have performed ab initio molecular dynamics simulations of proton transfer along two phosphatidylcholine bilayers. As found in previous theoretical studies, the excess proton is pre...

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Detalhes bibliográficos
Publicado no:PLoS One
Main Authors: Nguyen, Trung Hai, Zhang, Chao, Weichselbaum, Ewald, Knyazev, Denis G., Pohl, Peter, Carloni, Paolo
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5825111/
https://ncbi.nlm.nih.gov/pubmed/29474432
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0193454
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