Solvent-free coarse-grained lipid model for large-scale simulations
Abstract
A coarse-grained molecular model, which consists of a spherical particle and an orientation vector, is proposed to simulate lipid membrane on a large length scale. The solvent is implicitly represented by an effective attractive interaction between particles. A bilayer structure is formed by orientation-dependent (tilt and bending) potentials. In this model, the membrane properties (bending rigidity, line tension of membrane edge, area compression modulus, lateral diffusion coefficient, and flip-flop rate) can be varied over broad ranges. The stability of the bilayer membrane is investigated via droplet-vesicle transition. The rupture of the bilayer and worm-like micelle formation can be induced by an increase in the spontaneous curvature of the monolayer membrane.
Cite
@article{arxiv.1010.0389,
title = {Solvent-free coarse-grained lipid model for large-scale simulations},
author = {Hiroshi Noguchi},
journal= {arXiv preprint arXiv:1010.0389},
year = {2015}
}
Comments
13 pages, 19 figures