(467d) Using All Atom Simulation to Predict RNA Behavior in Biomolecular Condensates

Membraneless organelles (MLO’s) are formed by condensation of cellular material through liquid-liquid phase separation. An RNA molecule’s properties can influence the formation of these liquid-liquid phase separated droplets. Specifically, an RNA molecule’s secondary and tertiary structure can be responsible for different condensate properties. One way to determine the secondary and tertiary structures of these RNA molecules is to use atomistic simulations. We use multi-scale approach to explore behaviors of RNAs and their interactions with proteins native to condensates. Using this information, predictions about condensate properties can be made to better inform future decisions regarding their usage in biotherapeutics or drug design.