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

2010/10/03 by Hiroshi Noguchi
Biochemistry, Genetics and Molecular Biology · Materials Science · Physics and Astronomy · #Bilayer #Block Copolymer Self-Assembly #Elasticity of cell membranes #Lipid Membrane Structure and Behavior #Lipid bilayer #Lipid bilayer mechanics #Lipid bilayer phase behavior #Membrane #Micelle #Model lipid bilayer #Monolayer #Pickering emulsions and particle stabilization #cond-mat.soft #physics.bio-ph

paper · pdf · doi:10.1063/1.3541246

published as J. Chem. Phys. 134, 055101 (2011) · 13 pages, 19 figures

arxiv created 2010/10/03 · openalex publication_date 2011/02/01 · arxiv updated 2015/05/20 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05

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.

Citations