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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 17: Poster I
CPP 17.3: Poster
Montag, 9. März 2026, 19:00–21:00, P5
Using the Patchy Particle Model to simulate Biomolecular Condensates — •Mubarrat Mursalin1,2, Simon Dannenberg1, and Stefan Klumpp1,2 — 1Georg August University Göttingen — 2Max Planck School of Matter to Life
Biomolecular condensates are formed through liquid-liquid phase separation (LLPS) of proteins, often together with nucleic acids, typically driven by low-affinity interactions. Phase separation allows biological systems to spatially organize molecules for biological functions. Theoretical studies of LLPS are usually based on continuum descriptions of fluids, which allows access to the biologically relevant time and length scales, but neglects all molecular details of the interactions, which implements their genetic programmability and determines the local structure of the condensates. Here, we use the coarse grained patchy particles to simulate LLPS, which provides an intermediate level of description between atomistic MD and continuum descriptions, thus allowing to access systems large enough to describe droplets and still retain a coarse-grained picture of the local structure inside the condensate. We look at the effects of repulsive crowding particles on the critical values, dynamics and structures of biomolecular condensates formed by three patch patchy particles. Using NVT simulations, combined with the direct coexistance method, we study the effects of crowder concentration and size, and recreate the known depletion and excluded volume effects.
Keywords: Biomolecular Condensates; Liquid-Liquid Phase Separation; Patchy Particle Model; Cellular Biophysics; Theoretical Biophysics