Flexible lipid bilayers in implicit solvent.

Grace Brannigan; Peter F Philips; Frank L H Brown

doi:10.1103/physreve.72.011915

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Flexible lipid bilayers in implicit solvent.

Grace Brannigan·Peter F Philips·Frank L H Brown

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Abstract

A minimalist simulation model for lipid bilayers is presented. Each lipid is represented by a flexible chain of beads in implicit solvent. The hydrophobic effect is mimicked through an intermolecular pair potential localized at the "water"/hydrocarbon tail interface. This potential guarantees realistic interfacial tensions for lipids in a bilayer geometry. Lipids self-assemble into bilayer structures that display fluidity and elastic properties consistent with experimental model membrane systems. Varying molecular flexibility allows for tuning of elastic moduli and area per molecule over a range of values seen in experimental systems.

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Biophysics Lipid Bilayers Lipids Models, Chemical Models, Molecular Models, Statistical Models, Theoretical Monte Carlo Method Solvents Static Electricity Thermodynamics Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S.

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Grace Brannigan, Peter F Philips, Frank L H Brown. 2005-07-26. Flexible lipid bilayers in implicit solvent.. https://doi.org/10.1103/physreve.72.011915

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