My research focuses on linking the paradigm of Sequence-Structure-Function to the Dynamics of biomolecular systems using the computational approach of Biomolecular Modeling, and Molecular Dynamics Simulations. Primarily focusing on the kinases, a highly dynamic entity, and a potential target for various cancer diseases.  To better understand the molecular basis of the disease mechanism due to mutations and how it is affecting the local as well as the allosteric mechanism remained elusive due to the lack of structural data. Our goal is to provide conformational ensembles and dynamic portrait of these biomolecular systems and to elucidate the role of each specific residue by integrating computational data with the structural data.