[11p-M121-1~10] Interplay and integration of experiments and calculations in nanobiotechnology: lipid membrane and membrane proteins

[11p-M121-7] Quantitative Coarse-Grained Molecular Simulation: Molecular View of Phase Separation and Morphological Variation of Lipid Membranes

〇Wataru Shinoda¹ (1.Nagoya Univ.)

Keywords:lipid membrane, coarse-grained molecular model, molecular dynamics simulation

We developed a quantitative coarse-grained (CG) molecular model (SPICA force field), which can predict membrane morphology determined by interfacial properties at the molecular scale and molecular distribution functions. By using the SPICA force field, we are able to observe morphological change of mixed lipid aggregates and estimate the free energy barrier for the membrane fusion. The molecular dynamics simulations using the quantitative CG model enable us to observe the variation of membrane properties depending on the lipid components and the membrane curvature as well as the domain formation within the mixed lipid membranes due to a minor difference of lipid molecular structure.