Research Background and Future Interest
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Research Background
- Studies on energetics, reactivity, structure-function & stability of DNA in gas as well as solvent phase using Computational Chemistry methods (1996 -2000)
- Hydration patterns of Amino acids (2000-2001)
- 3D-QSAR-COMFA studies on Peroxisome Proliferators Activated Receptor (PPAR) gamma agonists (2000-2001)
- Molecular Modeling studies on Somatostatin Analogs (2000-2001)
- Computer aided studies and Design of Pheromone Analogs-Quorum sensing: 3D-QSAR and Binding activity studies (2000-2001)
- G-Protein Coupled Receptors (2001-2002)
- Anti Tumor Drugs (2001-2002)
- DNA-Protein recognition (2001-2002)
Research Interest
- Bioinformatics
- G-Protein-Coupled Receptors
- Nuclear Receptors
- DNA-Protein interactions
- Protein- Ligand interactions
- Protein- Protein interactions
- Enzyme-substrate interactions
- QSAR/QSPR
- Receptor-Ligand docking
- Molecular recognition
- Quantum chemistry
- QM/MM methods