Tanmoy Sen

My study employs a dual experimental computational approach to examine how amino acid insertions in β-lactam binding enzymes structurally remodel active sites, peripheral loops, and catalytic motifs critical to substrate recognition and hydrolysis. Biochemical and biophysical characterization along with X-ray crystallography validates the functional, thermodynamic, and structural consequences of insertions on substrate turnover and inhibitor binding. Subsequently, complementary homology modelling, molecular docking, and MD simulations decode the atomistic basis of insertion-driven conformational remodelling, bridging experimentally observed resistance phenotypes directly to their structural origins.