(142d) Using Simulation to Explore the Effect of Cholesterol on Skin Lipid Self-Assembly

While much is known about the composition of lipids in the skin from extensive experimental studies, a clear understanding of how and why these molecules assemble into the structures observed through microscopy and biophysical measurements does not yet exist. In order to probe lipid phase behavior and molecular arrangement, we are performing molecular simulations with both atomistic and coarse-grained models of key skin lipids and water. Here the development and validation of the coarse-grained models will be presented alongside the results of simulation studies for mixed lipid systems that provide insight into the lamellar organization and in particular examine the effect of cholesterol concentration on membrane structure and fluidity in self-assembled systems.

Co-authors: Parashara Shamaprasad, Chloe Frame, Timothy C. Moore, Chris Iacovella, and Clare McCabe

Department of Chemical & Biomolecular Engineering, Vanderbilt University, Nashville, TN 37235, USA