IPM Calendar  School/Center

Weekly Seminar
Large-scale biomembrane modeling: thermodynamics, kinetics, and membrane-mediated interactions
Dr. Mohsen Sadeghi

Date : Wednesday , November 3, 2021
           14:00 - 15:00    

Biomembranes are two-dimensional assemblies of phospholipids that are only a few nanometres thick, but form micrometer-sized structures vital to cellular function. All-atom simulations of biologically relevant membrane systems are computationally expensive, especially when the large number of solvent particles and slow membrane kinetics are taken into account. This necessitates the development of coarse-grained models for different scales of interest. In this talk, I present an ultra-coarse-grained membrane model that mimics the thermodynamics and kinetics of bilayer systems at large-scale. I describe our method for coupling this model to solvent hydrodynamics, which allows for the simulation of large biomembrane systems with realistic equilibrium and non-equilibrium kinetics, at relatively low computational cost. I also demonstrate how we augment this model to represent membrane-bound peripheral proteins, in order to study indirect membrane-mediated interactions and the resulting aggregation.

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