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

作者:Skjevik Age A; Madej Benjamin D; Dickson Callum J; Teigen Knut; Walker Ross C*; Gould Ian R
来源:Chemical communications, 2015, 51(21): 4402-4405.
DOI:10.1039/c4cc09584g

摘要

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.

  • 出版日期2015