Abstract: Biomembranes are essential cellular components, providing identity not only to the cell as a whole, but also to many internal organelles. Their spatial organization ranges from a locally flat, lamellar geometry to highly curved ones as found, for instance, in the endoplasmic reticulum, Golgi apparatus, or mitochondria. Moreover, they are not static, but rather dynamic structures and undergo many remodeling processes involving highly cured intermediates.
To reveal the role of membrane shape in the lateral organization of cell membranes, computer simulations provide an attractive tool, being able to resolve the dynamics of the constituting lipids and proteins at the sub-molecular scale1. In the talk, I will describe our latest efforts in simulating the interplay between membrane shape and lipid/protein sorting, from the scale of multi-component membrane patches2 all the way to entire mitocondria3.
1. S.J. Marrink, V. Corradi, P.C.T. Souza, H.I. Ingolfsson, D.P. Tieleman, M.S.P. Sansom, Computational Modeling of Realistic Cell Membranes. Chem. Review, 119:6184-6226, 2019.
- V. Corradi, E. Mendez-Villuendas, H.I. Ingolfsson, R.X. Gu, I. Siuda, M.N. Melo, A. Moussatova, L.J. DeGagne, B.I. Sejdiu, G. Singh, T.A. Wassenaar, K. Delgado Magnero, S.J. Marrink, D.P. Tieleman. Lipid-Protein Interactions Are Unique Fingerprints for Membrane Proteins. ACS Central Science 4:709-717, 2018.
- W. Pezeshkian, M.Konig, T.A. Wassenaar, S.J. Marrink. Backmapping Triangulated Surfaces to Coarse-Grained Membrane Models. Nature Commun. 11:2296, 2020
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