NIPER Kolkata

The NIPER Kolkata offers a two-year full-time M.S. (Pharm.) program in Pharmacoinformatics from 2007 onwards. The Department of Pharmacoinformatics is highly collaborative with medicinal chemist, synthetic chemist, biologist, etc. We based on computational tools model and analyze the structures, functions of macromolecular targets (DNA, enzymes, receptors) as well as analyze molecular interactions of medicinally important molecules with these targets.

Target identification Virtual screening of natural compounds and chemical databases against important targets for hit identification Ligand-based techniques QSAR 3D-QSAR Ligand based pharmacophore mapping Structure-based techniques Homology modelling Docking Target based pharmacophore mapping Molecular dynamic simulation ADME prediction Electronic structure analysis Quantum chemical studies of metabolic reaction pathways Quantum chemical studies of organic reactions (Computation of transition state, energy of reaction, energy of activation) Machine learning and deep learning approaches

Department