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Effects of Electric Fields on Proton Transport Through Water Chains

Molecular dynamics simulations on quantum energy surfaces are carried out to study the effects of perturbing electric fields on proton transport (PT) in protonated water chains. As an idealized model of a hydrophobic cavity in the interior of a protein the water molecules are confined into a carbon...

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Detalhes bibliográficos
Main Authors: Hassan, Sergio A., Hummer, Gerhard, Lee, Yong-Sok
Formato: Artigo
Idioma:Inglês
Publicado em: 2006
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC1808339/
https://ncbi.nlm.nih.gov/pubmed/16774356
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.2198820
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