Major research activities of the centre is computer aided drug discovery using commercial softwares; Molecular Modeling and Docking studies using GLIDE Schrödinger Suite USA, Homology Modeling using MODELLER and various online servers, Molecular Dynamics using GROMACS, AMBER; Screening of large databases to find the lead compound and designing the ligands using their pharmacophore properties and subjecting them for the docking studies to find the binding affinity of the receptor and lead compound.