title: All-atom lipid bilayer self-assembly with the AMBER and CHARMM lipid force fields.
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.
authors: San Diego Supercomputer Center, University of California San Diego, 9500 Gilman Drive MC0505, La Jolla, California 92093-0505, USA. ross@rosswalker.co.uk.
authors: Åge A
authors: ÅA
authors: Skjevik
authors: Benjamin D
authors: BD
authors: Madej
authors: Callum J
authors: CJ
authors: Dickson
authors: Knut
authors: K
authors: Teigen
authors: Ross C
authors: RC
authors: Walker
authors: Ian R
authors: IR
authors: Gould
mesh_terms: D008051:Lipid Bilayers / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D010713:Phosphatidylcholines / Q000737:chemistry; D010714:Phosphatidylethanolamines / Q000737:chemistry; D010743:Phospholipids / Q000737:chemistry*; D014867:Water / Q000737:chemistry
chemical_list: D008051:Lipid Bilayers; D010713:Phosphatidylcholines; D010714:Phosphatidylethanolamines; D010743:Phospholipids; D014867:Water