Molecular simulations of chromatin-associated biomolecular condensates

Biomolecular condensates are central to nuclear organisation, and molecular simulations have most advanced our understanding of the molecular interactions that drive their formation and phase behaviour. Coarse-grained, physicochemically specific models are now able to reproduce phase diagrams, material properties, and sequence-phase space relationships with quantitative accuracy for intrinsically disordered proteins, but capturing condensates as they exist in the nucleus demands additional ingredients: explicit ionic environments, post-translational modification grammars, chromatin architecture as an explicit component, and nonequilibrium dynamics driven by active processes.