Nicholas Rego


Research interests

My research focuses on characterizing the strength of water-protein interactions. The surfaces of proteins are extremely complex, both chemically and topographically, and the ways in which proteins disrupt hydrating water structure determines their interaction sites, and, ultimately, their functions. Characterizing the strength of protein surface-water interactions is challenging; we do this by systematically perturbing protein hydration waters to identify surface patches that interact the most weakly with water. Finally, I'm trying to determine the underlying topographical and chemical determinants of hydrophobicity at the nanoscale by leveraging interpretable machine-learning techniques on simple model surfaces.