Berlin 2024 – scientific programme

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BP: Fachverband Biologische Physik

BP 16: Membranes and Vesicles II

BP 16.5: Talk

Wednesday, March 20, 2024, 10:30–10:45, H 0112

Mesoscopic modeling for protein-membrane interplay with realistic kinetics — •Mohsen Sadeghi — Freie Universität Berlin

Biomembranes achieve their multitude of functions in an organized and collaborative interplay with membrane-associated proteins. Quantitative analysis of the dynamics of membranes interacting with a population of proteins in a consistent model that incorporates kinetics as well as protein structural information and flexibility is essential in fully describing these processes. Achieving this paves the way for understanding and potentially manipulating complex vital pathways. Here, we present our dynamic framework for modeling membranes and proteins [1, 2], which includes our novel approach to hydrodynamic coupling [3]. We present results on the dynamics of membrane-bound toxins [4,5,6], and the first computational model of the whole human cytomegalovirus particle, highlighting the organization of proteins in the viral tegument [7]. We make the case for how large-scale mesoscopic simulations offer unprecedented insight into the complex cellular dynamics, and provide access to spatiotemporal scales relevant to cell biology.

[1]. Sadeghi & Noé, Nat. Commun. (2020) 11:2951. [2]. Sadeghi, Weikl & Noé, J. Chem. Phys. (2018) 148:044901. [3]. Sadeghi & Noé, J. Chem. Phys. (2021) 155:114108. [4]. Sadeghi & Noé, J. Phys. Chem. Lett. (2021) 12:10497-10504. [5]. Sadeghi, Soft Matter (2022) 18:3917-3927. [6]. Sadeghi, bioRxiv (2023) 2022.11.09.515891. [7]. Bogdanow, et al. Nat. Microbiol. (2023) 8:1732.

Keywords: membrane; peripheral proteins; mesoscopic; hydrodynamics; simulation