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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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Supplementary files

Article information


Submitted
08 Dec 2014
Accepted
04 Feb 2015
First published
04 Feb 2015

Chem. Commun., 2015,51, 4402-4405
Article type
Communication
Author version available

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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