Our group is working on Molecular Modeling, CADD and Structural Bioinformatics. We are mainly working on the CDK, HIV, HTLV, targets and also to find out Anti-bacterial and Anti-fungal agents through computational methods. We are developing new technologies to contribute in Drug Designing and Discovery. Chemical information technology helps us to appreciate the richness and variety of chemical structural complexity. CADD touches all areas of chemistry. The discovery of new products helps us explore structures and functionality that we would never guess are important. Characterizing the biological activity and properties of all the known compounds is impossible. We must develop predictive tools for molecular properties in an environmental setting. Quantitative structure activity relationships (QSAR), Quantitative structure property relationships (QSPR), and 3D-database mining play a central role in this effort. This Chemoinformatics introduces the use of advanced computational methods in Computer Aided Molecular Design. CAMD is a unifying theme that focuses on why we do chemistry and how we decide what to synthesize and study. The goal of Computer Aided Molecular Design (CAMD) is to find ligands that are predicted to interact strongly with the target. Alternatively, this procedure can be reversed to search for target that will interact strongly with a given ligand. Our research works are purely related to the Structural Bioinformatics, Cheminformatics and pharmacoinformatics etc. which includes mainly ab initio calculation, Quantum chemical calculations (QM/MM methods), MO and DFT calculation, 2D and 3D-QSAR, Molecular Docking, Pharmacophore Mapping, Protein Modeling, , De novo ligand design, Scoring functions, Combinatorial library design, Data base searching and development, Optimization of lead compounds, drug receptor interaction analysis, In silico ADME/T analysis and other Structure and Ligand based Drug Design techniques.