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BP: Fachverband Biologische Physik
BP 3: Computational Biophysics I
BP 3.11: Vortrag
Montag, 17. März 2025, 12:30–12:45, H44
Patchy Particle Model for Biomolecular Condensates — •Devika Magan1,2,3, Alena Taskina1,4, Simon Dannenberg1, and Stefan Klumpp1,4 — 1Institute for the Dynamics of Complex Systems, University of Goettingen, Friedrich-Hund-Platz 1, 37077 Goettingen, Germany — 2Indian Institute of Science Education and Research Mohali, India — 3Institute for Theoretical Physics, Heidelberg University, 69120 Heidelberg, Germany — 4Max Planck School Matter to Life
Biomolecular condensates are formed via liquid-liquid phase separation (LLPS) of proteins and nucleic acids, driven by interactions between low-affinity binding sites. Computational studies of biomolecular condensates often use coarse-grained patchy particle models, representing proteins with a repulsive core and directional attractive patches. However, these simulations are typically limited by slow dynamics and struggle to capture the full range of material properties of fluid-like condensates. We present an enhanced patchy particle model to study the formation and dynamics of biomolecular condensates. By incorporating flexible patches and weak isotropic attractions between cores, our model preserves key equilibrium characteristics, including phase behavior and local structure, while significantly accelerating system dynamics. These modifications enable the simulation of larger, more complex systems previously inaccessible due to prohibitive relaxation times and provide a versatile tool for studying condensate dynamics.
Keywords: Biomolecular Condensates; LLPS; Molecular Dynamics