Effect of Multivalent Interactions on Phase Separation: A Reaction Diffusion Dynamics Study

Abstract

Phase Separation is referred to as the process in which a solution spontaneously separates into two distinct phases, a dense and a dilute one, and stably coexist. Recent studies exhibit that phase separation is responsible for formation of biomolecular condensates. Altered protein dynamics in the biomolecular condensates are linked to several neurodegenerative diseases. Within the cellular environment, multivalent Intrinsically Disordered Proteins (IDPs) are the main drivers of phase separation. The number of interacting sites on proteins determines their valency which plays a key role in modulating phase separation. In this study, we employ a minimal coarse-grained approach to study phase separation, wherein the proteins are represented by spherical beads with interacting sites on them. The beads are governed by reaction diffusion dynamics. The effects of varying valency, concentration of species, and Lennard-Jones potential well depth on the interaction of beads has been studied. We also demonstrate the effects of specific binding site reactions on the system. Results indicate how minor changes in the simulation parameters lead to modifications in phase change behaviour. This work will help us to understand h