We are interested in using and developing computational tools to understand the Structure – Function – Inhibition paradigm of several interesting macromolecules like proteins.
Proteins are important workhorses carrying out a myriad of functions in a biological system. We use molecular simulation techniques that act as a computational microscope to view the dynamic behaviour of these important molecules. We work on several interesting proteins such as GPCRs, kinases and methyltransferases to name a few, apart from proteins that have no known function. Read more about our exciting work on the research page.