The main focus of our laboratory is to understand the Protein-Structure, Folding, Function and Dynamics through computational biology approaches. Molecular Dynamics Simulations - Molecular dynamics simulations are being carried out in order to investigate the properties of biomolecules in terms of their structure and the microscopic interactions between them. Graph Theory and Protein Structure Networks - The second major focus of our lab is the use of graph theoretic methods to understand Protein Structure, Folding and Function. Graph theory is a branch of discrete mathematics that is used in the study of various real-world networks and their properties. We have investigated protein structures from graph spectral parameters and have depicted the protein structures as networks and explored the properties of such networks. Short Hydrogen Bonds and Quantum Chemistry - The other areas of interest to the lab are computational quantum chemistry and short hydrogen bonds in proteins. The chemical reactions in biology involve changes in electronic structure and covalent bonding of the constituent molecular fragments. Quantum chemical calculations can give insights into the electronic structures of complex systems.