Parameters for Martini sterols and hopanoids based on a virtual-site description.

Abstract

Sterols play an essential role in modulating bilayer structure and dynamics. Coarse-grained molecular dynamics parameters for cholesterol and related molecules are available for the Martini force field and have been successfully used in multiple lipid bilayer studies. In this work, we focus on the use of virtual sites as a means of increasing the stability… (More)
DOI: 10.1063/1.4937783

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