Patel Group | Akash Pallath

Akash Pallath

Research interests

My research centers on characterizing the complex interplay between hydration and conformation of proteins, peptides, and polymers through the use of enhanced sampling simulations and novel data analysis frameworks. My eventual goal is to use the understanding we gain from this research to help inform the discovery, design, and delivery of drugs and biotherapeutics.

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C₄₅ in water in transition states between its extended and collapsed basins. Transition states are characterized by the formation of a locally dewetted cluster of beads. Dewetted beads are colored red. To learn more, read our J Phys Chem B paper.

Publications

AU Thosar, Y Cai, SM Marks, Z Vicars, J Choi, A Pallath, and AJ Patel. On the Engulfment of Antifreeze Proteins by Ice, Proceedings of the National Academy of Sciences (2024).
D Dhabal, Z Jiang, A Pallath and AJ Patel. Characterizing the Interplay between Polymer Solvation and Conformation, Journal of Physical Chemistry B (2021).