Theory and simulation of biomolecular condensates (Droplets)

Thermodynamically driven droplets

• Connecting polymer features to their emergent droplet features
• Connecting sequence level features to the polymer features
• Designing proteins for tuning droplet features

Chemically active droplets

• Examining the impact of droplets on reactions for cells
• Energy dependent bifurcations in droplet state
• Critical behavior that induces hysteresis in droplet concentrations
• Connecting activity in droplets to cell regulation and cell signaling

Techniques

• Monte Carlo polymer lattice
• Monte Carlo all-atom protein simulations
• Molecular dynamics coarse-grained simulations
• Cahn Hilliard
• Reaction-diffusion equations
• Effective droplet models