SKM 2023 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

BP: Fachverband Biologische Physik

BP 11: Poster Session I

BP 11.34: Poster

Dienstag, 28. März 2023, 12:30–15:30, P1

Investigation of thermal fluctuations and elastic properties of lipid bilayers via molecular dynamics simulations — •Clara Rickhoff, Azadeh Alavizargar, and Andreas Heuer — Institute of Physical Chemistry, University Münster, Münster, Germany

As cell membranes consist to a large part of a lipid bilayer and are essential for living cells by forming a barrier between different compartments of cells, which needs to be stable on the one hand but also ductile for processes like cell division on the other hand, the mechanical properties of lipid bilayers are of interest for a better understanding of the behaviour of cell membranes. One important quantity is the bending modulus, which can be extracted from the thermal fluctuation of the bilayer in an equilibrium state and thus from molecular dynamics simulations (MD simulations) and generally can be, due to similar length and time scales, also compared to neutron spin echo spectroscopy (NSE).

In this work, we first performed atomistic MD simulations on a pure DMPC-system and a DPPC-system in order to compare the resulting bending modulus and effective bending modulus with available data from literature. Those simulations were then compared with the results of coarse-grained MD-simulations (CG-simulations), which offer the possibility to examine larger systems and also investigate the impact of transmembrane domains on those quantities.