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Water Permeation Through DMPC Lipid Bilayers using Polarizable Charge Equilibration Force Fields
We investigate permeation energetics of water entering a model dimyristoylphosphatidylcholine (DMPC) bilayer via molecular dynamics simulations using polarizable Charge Equilibration (CHEQ) models. Potentials of mean force show 4.5–5.5 kcal/mol barriers for water permeation into bilayers. Barriers a...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3107520/ https://ncbi.nlm.nih.gov/pubmed/21647243 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cplett.2011.04.052 |
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