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Seminarium z fizyki biologicznej i bioinformatyki

sala D, IFPAN, al. Lotników 32/46
2026-10-07 (15:15) Calendar icon
Prof. Hung T. Nguyen (Department of Chemistry, Institute for Artificial Intelligence & Data Science, University at Buffalo, SUNY, U.S.A)

From single molecule to collective phase behavior: modeling structural ensemble, ion atmosphere, and aging of RNA condensate

Link do spotkania: https://zoom.us/j/91976153012?pwd=azNiMWE4UnhPN3lRQlY2UHZHOXVkQT09
Biomolecular condensates formed by RNA and proteins exhibit rich structural and dynamical behaviors that emerge from molecular interactions across multiple scales. Understanding how single-molecule properties translate into collective phase behavior remains a central challenge in describing condensate function and regulation. In this talk, I will present our computational modeling efforts that bridge RNA conformational ensembles, ion–RNA interactions, and the emergent physicochemical properties of RNA-rich condensates. Using carefully validated coarse-grained simulations, we characterize how RNA sequence and structure shape conformational heterogeneity and local ion atmospheres, and how these features are reorganized upon condensation. Our results reveal that the condensed phase induces distinct RNA structural ensembles and ion distributions compared to dilute solution, leading to altered intermolecular interactions and collective organization. We further explore the aging of RNA condensates, showing how slow structural rearrangements and ion-mediated interactions drive changes in condensate dynamics and properties over time. Together, our work provides a multiscale molecular framework that connects single RNA behavior to collective phase phenomena, offering mechanistic insight into the regulation and functional consequences of RNA condensation.

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