Education |
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1993 | MS* | Computer Science | Univ. Alabama at Birmingham (USA) |
1990 | Ph.D. | Applied Theoretical Chemistry | Univ. of Hyderabad, India |
1984 | M.Sc. | Organic Chemistry | Visva-Bharati, Santiniketan, India. UGC Net cleared in 1984 |
1982 | B.Sc. | Chemistry, Maths, Physics | Andhra University, Waltair, India |
*Non-degree |
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Area of Expertise |
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1. | Computer Aided Modeling of Drug Molecules: Electronic structure prediction, molecular electro static surface prediction, predicting the complementarity between drugs and receptors; Substrates and Enzymes, etc. |
2. | Computer Aided Design of New Leads: Using 2D QSAR, 3D QSAR, pharmacophore mapping, Molecular docking, virtual screening |
3. | Computer Aided Lead Optimization: Using molecular field analysis, de novo design, Induced fit analysis, molecular dynamic simulations |
4. | Computer Aided Prediction of Toxicology: Using toxicological descriptors, QSTR, toxicophore mapping |
5. | Computer Aided Design of Nanoparticles: Especially the design of dendrimeric drug delivery systems. |
6. | Computer Aided Analysis of Drug Disposition: In terms of oxidation using CYPs, Molecular docking in the active site of CYPs. |
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