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Molecular dynamics simulations of ethanol permeation through single and double-lipid bilayers

Permeation of small molecules through membranes is a fundamental biological process, and molecular dynamics simulations have proven to be a promising tool for studying the permeability of membranes by providing a precise characterization of the free energy and diffusivity. In this study, permeation...

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Pubblicato in:J Chem Phys
Autori principali: Ghorbani, Mahdi, Wang, Eric, Krämer, Andreas, Klauda, Jeffery B.
Natura: Artigo
Lingua:Inglês
Pubblicazione: AIP Publishing LLC 2020
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7656323/
https://ncbi.nlm.nih.gov/pubmed/33003717
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0013430
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