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Does Arginine Remain Protonated in the Lipid Membrane? Insights from Microscopic pK(a) Calculations

Free energy perturbation calculations are carried out to estimate the effective pK(a) of an arginine (Arg) sidechain as a function of its location in the dipalmitoylphosphatidylcholine bilayer. Similar to previous all-atom simulations of the voltage sensor domain of a potassium channel in the membra...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Yoo, Jejoong, Cui, Qiang
Format: Artigo
Sprache:Inglês
Veröffentlicht: The Biophysical Society 2008
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2275699/
https://ncbi.nlm.nih.gov/pubmed/18199662
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.107.122945
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