All-atom lipid bilayer self-assembly with the AMBER and CHARMM lipid force fields.
نویسندگان
چکیده
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.
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عنوان ژورنال:
- Chemical communications
دوره 51 21 شماره
صفحات -
تاریخ انتشار 2015