Computational Modeling of Curvature Effects in Supported Lipid Bilayers

Matthew      I. Hoopes; Marjorie      L. Longo; Roland      Faller

doi:10.2174/157341311797483682

Abstract

We present mesoscale molecular modeling of lipid bilayer systems supported on a variety of patterned substrates. The model can easily be tuned between regimes dominated by adsorption to the substrate or dominated by line tension between phase separated systems. We show that we can generate arbitrary shapes relevant for bio-nanotechnology and study computationally experimentally relevant systems to a high degree of detail. Especially, properties like membrane stress distributions which cannot experimentally be accessed allow a high degree of understanding of these systems.

Keywords: biomembranes, curvature, molecular modeling, multiscale modeling, patterning, supported bilayers, phospholipids, nanotechnology, phase separations, Molecular simulation, lipids, vesicles, adsorption, fluid membranes, coarse-graining