Solvent-free coarse-grained lipid model for large-scale simulations

Details Solvent-free coarse-grained lipid model for large-scale simulations Solvent-free coarse-grained lipid model for large-scale simulations

2010-10-03

arxiv.org/abs/1010.0389v1

J. Chem. Phys. 134, 055101 (2011)

Physics

Condensed Matter

Soft Condensed Matter

13 pages, 19 figures

Scientific paper

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.

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