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Free Energy for the Permeation of Na(+) and Cl(−) Ions and Their Ion-Pair through a Zwitterionic Dimyristoyl Phosphatidylcholine Lipid Bilayer by Umbrella Integration with Harmonic Fourier Beads

[Image: see text] Understanding the mechanism of ion permeation across lipid bilayers is key to controlling osmotic pressure and developing new ways of delivering charged, drug-like molecules inside cells. Recent reports suggest ion-pairing as the mechanism to lower the free energy barrier for the i...

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Detalles Bibliográficos
Autores principales:	Khavrutskii, Ilja V., Gorfe, Alemayehu A., Lu, Benzhuo, McCammon, J. Andrew
Formato:	Texto
Lenguaje:	English
Publicado:	American Chemical Society 2009
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2651636/ https://www.ncbi.nlm.nih.gov/pubmed/19146415 http://dx.doi.org/10.1021/ja8081704

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