Venue: FIAS Lecture Hall 0.100

Our next "CMMS Talks" event with a talk by Prof. Dr. Andreas Heuer will take place on Thursday, 28 November 2024 at 2 p.m. in the FIAS Lecture Hall 0.100.

Abstract:

The plasma membrane consists of a lipid bilayer that is fluid and flexible, allowing lateral movement of proteins and lipids. Molecular dynamics (MD) simulations are essential to understand its properties at the microscopic level. By unravelling the individual interactions of the lipids, the relevance of the individual enthalpic contributions can be identified [1]. By mapping the membrane onto a lattice model, we show how entropic contributions related to the acyl chains can be quantified. This analysis allows, for example, to identify why saturated and unsaturated lipids behave differently. We can also show that the presence of negatively charged lipids can have a strong influence on the binding behaviour of proteins [2,3]. Finally, using a combination of cryoEM, AlphaFold and MD simulations, we were able to elucidate the mechanism for pore formation and ion transport across the membrane of -latroxin, which underlies the toxicity of the black widow spider [4].

[1] Alavizargar A, Keller F, Wedlich-Söldner R, Heuer A (2021). J Phys Chem B 125: 7679-7690

[2]Keller F, Alavizargar A, Wedlich-Söldner R, Heuer A (2023). Phys Chem Chem Phys 25: 1299-1309

[3] Alavizargar A, Gass M, Krahn MP,  Heuer A (2024) ACS Phys. Chem Au 4, 2, 167–179

[4] Klink, B.U., Alavizargar, A., Kalyankumar KS, Chen M, Heuer A, Gatsogiannis C (2024) Nature Communications 15, 8551