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Issue 21, 2015
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All-atom lipid bilayer self-assembly with the AMBER and CHARMM lipid force fields

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Abstract

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 self-assemble into organized bilayers in under 1 microsecond.

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

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Publication details

The article was received on 08 Dec 2014, accepted on 04 Feb 2015 and first published on 04 Feb 2015


Article type: Communication
DOI: 10.1039/C4CC09584G
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Citation: Chem. Commun., 2015,51, 4402-4405
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    All-atom lipid bilayer self-assembly with the AMBER and CHARMM lipid force fields

    Å. A. Skjevik, B. D. Madej, C. J. Dickson, K. Teigen, R. C. Walker and I. R. Gould, Chem. Commun., 2015, 51, 4402
    DOI: 10.1039/C4CC09584G

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