Theoretical/Computational Chemist; advised by Emilio Gallicchio, Ph.D. & Tom Kurtzman, Ph.D.
By leveraging statistical mechanics and thermodynamics, we develop and apply absolute and relative binding free energy methods to estimate binding affinities of small- to medium-sized molecules, as well as explore the mitigating effects of water structure and solvation in said binding regions. With validation from various rigorous host-guest and protein-ligand experimental datasets, our Alchemical Transfer Method's prediction of absolute binding free energy and recent extension to estimating relative binding free energy show very promising results.
Prior to starting my Ph.D., I completed my B.S. in Chemistry at New York University, followed by a formative stint as an academic fellow in NYU Shanghai and NYU Abu Dhabi. Outside of code and methods development, I enjoy fencing, handball, traveling, biking, and optimizing daily tasks.