Predicting Kinetics of Biomolecular Condensate Formation from Coarse-Grained Simulations

Biomolecular condensates are an important frontier for bioengineering research, and exploration of their thermodynamic properties has advanced significantly in recent years. However, the determinants of condensate kinetics (e.g., nucleation rates) are less well understood. In this study, we leverage a residue-resolution computational model of proteins and treatments from critical nucleation theory to examine the kinetics of condensate formation. In particular, we conduct simulations of intrinsically disordered proteins (IDPs) and their mutants, and quantify their nucleation rates. Our predictions may serve as a foundation for understanding relationships between thermodynamics and kinetics of condensate formation.