Regensburg 2019 – scientific programme

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BP: Fachverband Biologische Physik

BP 12: Poster II

BP 12.30: Poster

Tuesday, April 2, 2019, 14:00–16:00, Poster B2

Fundamentals of domain formation in lipid bilayers: Analyzing atomistic molecular dynamics simulations — •Fabian Keller and Andreas Heuer — Westfälische Wilhelms-Universität, Münster, Germany

The complex interplay of the myriad of different lipid species as well as membrane proteins that are found in plasma membranes and the resulting unique properties still remain elusive and not well understood. A cell's ability to tune phase behavior clearly is crucial for sustaining vital functionality.

Efforts have been made simulating lipid bilayers with a close-to native lipid composition to shed light on this behavior. [1] Nevertheless the underlying mechanisms remain unidentified.

In this work we approach the problem from a fundamental point of view, analyzing the interaction enthalpies of different lipid species as well as of one candidate of a transmembrane domain to get a better understanding of the driving forces of domain formation. These results can directly be used to expand a recent lattice model of lipid bilayers. [2]

[1] H. I. Ingólfsson,. et al. JACS, 136, (2014)

[2] D. Hakobyan, A. Heuer, J. Chem. Phys. 146, (2017)