Multiscale simulation of protein/lipid membrane systems
Aim of this project is to get a better understanding of the physical mechanisms of protein/protein and protein/lipid interactions im lipid membranes using multiscale simulations. The project is part of the Collaborative Research Center (SFB 625) in Mainz: "From Single Molecules to Nanoscopically Structured Materials". We want to study the aggregation of membrane proteins, in particular the light harvesting complex of green plants (LHC2b) - a trimeric protein that aggregates into larger scale structures, thus forming the light harvesting apparatus in the thylakoid membrane of chloroplasts. The LHC2b complex opens up questions on a wide range of levels of resolution: (i) the interaction of the chlorophyll pigments with the protein and of the protein with the lipid membrane, (ii) formation of the trimers, and (iii) the (membrane-mediated and direct) protein/protein attraction leading to the formation of nanostructures. We aim at a hierarchichal simulation approach where we connect high resolution models acting on the atomistic level with various levels of coarse grained models.
Interactions Determining the Structural Integrity of the Trimer of Plant Light Harvesting Complex in Lipid Membranes, R. Saini, C. Globisch, L. Franke, J. Membr. Biol., 254, 157–173, 2021. [doi]