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- Translational cancer research
- Biomolecular modeling
- Simulations using MC, MD, QM/MM methods
- Multiscale method development
- QM/MM MC
I am working to understand the effect of different oncogenic mutations in receptor tyrosine kinase (RTK) proteins. RTK plays a vital role in cellular signaling and is mutated in various cancers, including breast and lung cancers. A detailed molecular-level investigation of these mutagenesis effects is crucial for devising effective targeted therapy in cancer treatment. I am also interested in combining quantum mechanics with Rosetta to develop a QM/MM MC multiscale method. The implementation of such a technique in Rosetta is essential for the enzyme design and to understand protein-ligand interactions more effectively.