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- Computer aided drug discovery
- QSAR
- Machine Learning
My primary interest is to understand bio membranes and membrane proteins at a molecular level. Specifically, my work examines GPCRs, the largest family of membrane proteins and the target of approximately one third of FDA approved drugs. Aimed towards computer aided drug discovery, I employ computational methodologies using the protein modeling software suite Rosetta, machine learning and molecular dynamics simulations, and method development under the framework of Rosetta software.