Nicholas Rego

Portrait of Nicholas Rego.

Alumni

Patel Group roles
  • Former PhD Student, 2014–2020
    • Dissertation: “Characterizing And Predicting Hydrophobicity At The Nanoscale To Inform Protein Interactions”
  • Former Postdoctoral Fellow, 2020–2023
    • Founded Protein Design Solutions, LLC.
Research interests
Protein hydration, Nanoscale hydrophobicity, Interpretable machine learning

Research interests

During my time in the Patel Group, my research focused 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 determine their interaction sites and, ultimately, their functions. We addressed the challenge of characterizing protein surface-water interactions by systematically perturbing protein hydration waters to identify surface patches that interact most weakly with water. I also investigated the underlying topographical and chemical determinants of hydrophobicity at the nanoscale by applying interpretable machine-learning techniques to simple model surfaces.

Protein surface regions colored by their local hydration response.
Animated molecular view of hydration response around a protein interaction interface.
Rego, N. B., Ferguson, A. L., & Patel, A. J. (2022). Learning the relationship between nanoscale chemical patterning and hydrophobicity. Proceedings of the National Academy of Sciences, 119(48), e2200018119. https://doi.org/10.1073/pnas.2200018119
Rego, N. B., & Patel, A. J. (2022). Understanding Hydrophobic Effects: Insights from Water Density Fluctuations [Journal Article]. Annual Review of Condensed Matter Physics, 13(Volume 13, 2022), 303–324. https://doi.org/10.1146/annurev-conmatphys-040220-045516
Rego, N. B., Xi, E., & Patel, A. J. (2021). Identifying hydrophobic protein patches to inform protein interaction interfaces. Proceedings of the National Academy of Sciences, 118(6), e2018234118. https://doi.org/10.1073/pnas.2018234118
Jiang, Z., Remsing, R. C., Rego, N. B., & Patel, A. J. (2019). Characterizing solvent density fluctuations in dynamical observation volumes. The Journal of Physical Chemistry B, 123(7), 1650–1661. https://doi.org/10.1021/acs.jpcb.8b11423
Rego, N. B., Xi, E., & Patel, A. J. (2019). Protein hydration waters are susceptible to unfavorable perturbations. Journal of the American Chemical Society, 141(5), 2080–2086. https://doi.org/10.1021/jacs.8b11448
Xi, E., Venkateshwaran, V., Li, L., Rego, N., Patel, A. J., & Garde, S. (2017). Hydrophobicity of proteins and nanostructured solutes is governed by topographical and chemical context. Proceedings of the National Academy of Sciences, 114(51), 13345–13350. https://doi.org/10.1073/pnas.1700092114