Abstract

Biomolecular condensates, membraneless compartments formed via phase separation of proteins and nucleic acids, are emerging as a unifying principle for cellular organisation. Yet, our understanding of how molecular interactions determine their formation, stability, and function remains incomplete. In this talk, I will show how computer simulations across different scales can reveal the physicochemical principles underlying these complex biological assemblies. I will also discuss how computational approaches can be used to design condensates with desired properties, such as multicomponent systems with tunable composition and internal layering. Together, these efforts aim to bridge the gap between fundamental molecular interactions and biological organisation.