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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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Hlavní autoři: Aqvist, J, Warshel, A
Médium: Artigo
Jazyk:Inglês
Vydáno: 1989
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC1280462/
https://ncbi.nlm.nih.gov/pubmed/2473789
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