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All-atom lipid bilayer self-assembly with the AMBER and CHARMM lipid force fields

This communication reports the first example of spontaneous lipid bilayer formation in unbiased all-atom molecular dynamics (MD) simulations. Using two different lipid force fields we show simulations started from random mixtures of lipids and water in which four different types of phospholipids sel...

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Publicat a:Chem Commun (Camb)
Autors principals: Skjevik, Åge A., Madej, Benjamin D., Dickson, Callum J., Teigen, Knut, Walker, Ross C., Gould, Ian R.
Format: Artigo
Idioma:Inglês
Publicat: 2015
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC5084445/
https://ncbi.nlm.nih.gov/pubmed/25679020
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c4cc09584g
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