All-atom lipid bilayer self-assembly with the AMBER and CHARMM lipid force fields.
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ABSTRACT:
SUBMITTER: Skjevik AA
PROVIDER: S-EPMC5084445 | biostudies-literature | 2015 Mar
REPOSITORIES: biostudies-literature
Publications
All-atom lipid bilayer self-assembly with the AMBER and CHARMM lipid force fields.
Skjevik Åge A ÅA Madej Benjamin D BD Dickson Callum J CJ Teigen Knut K Walker Ross C RC Gould Ian R IR
Chemical communications (Cambridge, England) 20150301 21
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. ...[more]
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