COMP 385 |
| The study of lipid structure and phase behavior at the nano scale length is of importance due to implications in understanding the role of the lipids in biochemical membrane processes. Supported lipid bilayers play a key role in understanding real biological systems but they are vastly underrepresented in computational studies. We performed molecular dynamics simulations of supported lipid bilayers using a coarse grained model. We first focus on the technical implications of supported versus unsupported phospholipid systems in molecular simulations. Additionally we discuss bilayer and surface models in various degree of detail. We will then focus on a coarse-grained model of intermediate granularity. The simulations describe a noticeable influence of the support on the systems. We are able to demonstrate that the bilayer system behaviors change when supported by a hydrophilic surface. Additionally we discuss how different surface topologies affect the bilayer. Finally we discuss differences between the two leaflets induced by the support. |
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Current Techniques in Molecular Simulation of Biological Systems
9:00 AM-11:55 AM, Wednesday, August 22, 2007 BCEC -- 156B, Oral
Division of Computers in Chemistry |