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Energetics of ion conduction through the gramicidin channel

The free energy governing K(+) conduction through gramicidin A channels is characterized by using over 0.1 μs of all-atom molecular dynamics simulations with explicit solvent and membrane. The results provide encouraging agreement with experiments and insights into the permeation mechanism. The free...

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Bibliographic Details
Published in:Proc Natl Acad Sci U S A
Main Authors: Allen, Toby W., Andersen, Olaf S., Roux, Benoît
Format: Artigo
Language:Inglês
Published: National Academy of Sciences 2003
Subjects:
Online Access:https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC314148/
https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/14691245/
https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.2635314100
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