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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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Detalles Bibliográficos
Autores principales: Nguyen, Trung Hai, Zhang, Chao, Weichselbaum, Ewald, Knyazev, Denis G., Pohl, Peter, Carloni, Paolo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5825111/
https://www.ncbi.nlm.nih.gov/pubmed/29474432
http://dx.doi.org/10.1371/journal.pone.0193454