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Gramicidin A Channel as a Test Ground for Molecular Dynamics Force Fields

We use the well-known structural and functional properties of the gramicidin A channel to test the appropriateness of force fields commonly used in molecular dynamics (MD) simulations of ion channels. For this purpose, the high-resolution structure of the gramicidin A dimer is embedded in a dimyrist...

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Autori principali: Allen, Toby W., Baştuğ, Turgut, Kuyucak, Serdar, Chung, Shin-Ho
Natura: Artigo
Lingua:Inglês
Pubblicazione: Biophysical Society 2003
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC1302783/
https://ncbi.nlm.nih.gov/pubmed/12668425
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