About me

I’m a Biophysicist interested in studying proteins with tools from statistical mechanics and geometric deep learning. During my Ph.D. with Dr. Pratyush Tiwary, I have developed enhanced sampling tools used to study conformational change and drug dissociation. The eventual aim of this work is to bolster drug discovery by providing conformational ensembles for docking, predicting drug dissociation kinetics, and discovering cryptic binding sites. After defending, I will continue to leverage simulations for drug discovery at Schrödinger as a Senior Scientist on their molecular dyanmics team. If you have any questions about my software or publications, don’t hesitate to email me.

Research Interests

• Geometric deep learning
• Enhanced sampling for drug discovery
• Drug dissociation kinetics
• Binding site prediciton
• Cryptic site discovery