TCBG Seminar

Dynamic modeling framework for large-scale simulation of biomembranes and flexible peripheral proteins

Doctor Mohsen Sadeghi
Artificial Intelligence for the Sciences group
Freie Universitat Berlin
Berlin, Germany

Monday, August 1, 2022
3:00 pm (CT)
Zoom webinar recording


Membrane-associated peripheral proteins are, among other tasks, responsible for shaping and remodeling biomembranes. The necessary cooperative action of a multitude of curvature-inducing proteins is often facilitated by indirect membrane-mediated interactions. This renders the quantitative analysis of the dynamics of a collection of peripheral proteins in a consistent model that incorporates membrane kinetics as well as protein flexibility and lateral dynamics quite essential in fully describing protein aggregation and membrane remodeling processes. In this talk, I will present my dynamic membrane modeling framework [1-3], and discuss quantitative results on membrane- mediated interactions, aggregation kinetics, free energy landscapes, and entropy change governing the formation and break-up of protein clusters on the surface of the membrane [4, 5]. 1. Sadeghi & Noe, Nat. Commun. (2020) 11:2951. 2. Sadeghi, Weikl & Noe, J. Chem. Phys. (2018) 148:044901. 3. Sadeghi & Noe, J. Chem. Phys. (2021) 155:114108. 4. Sadeghi & Noe, J. Phys. Chem. Lett. (2021) 12:10497-10504. 5. Sadeghi, Soft Matter (2022) 18:3917-3927.

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