The energies of lipid membrane shapes are frequently modeled in terms of a lipid’s spontaneous curvature. The conventional approach is that each lipid has a single intrinsic parameter, and that the spontaneous curvature of a mixture is the simple sum of its constituents. However, molecular simulations show that this assumption is violated by common lipids, for example, cholesterol and sphingolipids. In this study, we demonstrate how to interrogate the curvature coupling of long-lived configurations of GM1-GM1 dimers, yielding a spontaneous curvature more positive than the monomer form. Additionally, we show how cholesterol can behave in opposite ways depending on context: as either a positive or negative spontaneous curvature lipid.

Molecular modeling of lipid-lipid interactions coupling to curvature: Cholesterol and gangliosides

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.