Athanassios Z. Panagiotopoulos

Polymer-residue accessibility shapes sequence dependence of critical temperatures for phase separation

Biological polymers, such as intrinsically disordered proteins, play a central role in cellular biology, including mediating phase separation and controlling activity of biological condensates. The physical properties and functions of biopolymers are determined by their residue s...

Accelerating Chemical Potential Calculations with Minimal Normalizing Flows

Abstract Chemical potentials are among the most important properties that can be obtained from a molecular simulation since they define many technologically relevant collective properties such as solubilities and activity coefficients. The chemical potential of a species in solut...