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Energetics of Ion Permeation, Rejection, Binding, and Block in Gramicidin A from Free Energy Simulations

The rigid force fields currently used in molecular dynamics (MD) simulations of biomolecules are optimized for globular proteins. Whether they can also be used in MD simulations of membrane proteins is an important issue that needs to be resolved. Here we address this issue using the gramicidin A ch...

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מידע ביבליוגרפי
Main Authors: Baştuğ, Turgut, Kuyucak, Serdar
פורמט: Artigo
שפה:Inglês
יצא לאור: Biophysical Society 2006
נושאים:
גישה מקוונת:https://ncbi.nlm.nih.gov/pmc/articles/PMC1459526/
https://ncbi.nlm.nih.gov/pubmed/16533834
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.105.074633
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