Molecular dynamics simulations of phase transition of lamellar lipid membrane in water under an electric field

Abstract

Molecular dynamics simulations were conducted to investigate phase behaviors of lamellar lipid membranes in water under a uniform external electric field. Poration, deformation and fusion of membranes were induced and water/membrane interfaces changed from perpendicular to parallel to the electric field. The hydration level of the lipids determined whether the final phase was the lamellar or inverted columnar structure. The simulations provide insights into phase transitions of amphiphile solutions in electric fields and mechanisms of cell electrofusion.