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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...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Biophysical Society
2008
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| Assuntos: | |
| Acesso em linha: | 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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