Molecular Dynamics Simulation of Enzymes Last updated on Sep 20, 2021 Go to Project Site MD simulation kinase proteins Protein-Ligand Lalit Kumar Gautam Post Doctoral Scholar My research interests include application of data science in medicine and healthcare. Related Structural insight into substrate binding of Acinetobacter baumannii polyphosphate-AMP phosphotransferase (PPK2), a novel drug target Attenuation of Acinetobacter baumannii virulence by inhibition of polyphosphate kinase 1 with repurposed drugs