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Energetics of ion permeation through membrane channels. Solvation of Na+ by gramicidin A.

Calculations of the solvation energetics for a Na+ ion inside the Gramicidin A channel and in water are presented. The protein dipoles Langevin dipoles (PDLD) method is used to obtain an electrostatic free energy profile for ion permeation through the channel. To gauge the quality of the PDLD result...

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Detalhes bibliográficos
Main Authors: Aqvist, J, Warshel, A
Formato: Artigo
Idioma:Inglês
Publicado em: 1989
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC1280462/
https://ncbi.nlm.nih.gov/pubmed/2473789
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