Abstract - Gohlke

Dynamic membrane remodeling by proteins is essential for various cellular processes. The proteins can induce membrane curvature, scission, or fusion by interacting with lipid bilayers and exerting mechanical forces. Understanding the mechanisms of membrane remodeling provides crucial insights into fundamental biological functions and disease-related processes. Here, we investigate by molecular simulations at multiple scales and (configurational) free energy computations such remodeling, present evidence for a credit-card-swipe mechanism in the human PC-floppase ABCB4, and show how bacterial ESCRT-III PspA rods internalize, thin and shed vesicles through helix α0 interactions.

Institute for Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf, Düsseldorf & Institute of Bio- and Geosciences (IBG-4: Bioinformatics), Forschungszentrum Jülich, Jülich