Abstract
Ceramide (Cer) is the simplest lipid in the biologically important class of glycosphingolipids. Ceramide is an important signaling molecule and a major component of the strateum corneum layer in the skin. In order to begin to understand the biophysical properties of ceramide, we have carried out a Molecular Dynamics simulations of mixtures of hydrated 16:0-ceramide:POPC lipid bilayers at temperatures 323K and 368K. These simulations consist of 5%,10%, 15%, 20%, 30%, 40%, 60%, 80%, and 100% Cer in POPC bilayers. We computed electron densities and order parameters to investigate the structural properties of these mixtures. We compared our simulation results with the experimental phase diagrams of Cer:POPC mixtures.
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