Finite-size shifts in simulated protein droplet phase diagrams

Computer simulation can provide valuable insight into the forces driving biomolecular liquid–liquid phase separation. However, simulated systems have a limited size, which makes it important to minimize and control finite-size effects. Here, using phenomenological free-energy ansatz, we investigate how single-phase densities observed in canonical system under coexistence conditions depend on size total density. We compare theoretical expectations with results from Monte Carlo simulations based simple hydrophobic/polar protein model. consider both cubic spherical droplets elongated slab-like droplets. The presented suggest that slab method greatly facilitates estimation of large-system limit.