Shiv Rekhi

The paper introduces a computational framework to model pH gradients in biomolecular condensates and shows sequence-dependent pH shifts in FUS and PGL-3.

The paper investigates how biomolecular condensates alter amino acid pKa values through simulations, finding protonated states are favored in condensates.

This paper develops a graph-based model to predict small-molecule partitioning into biomolecular condensates using existing experimental data and applies it to identify chemically diverse partitioners.

This study calculates amino acid transfer free energies to reveal thermodynamic contributions to biomolecular condensate formation, showing charge asymmetry and interactions between protein and water.