Jagadeesh Mavinahalli Nanjegowda, Ph.D.
Research Interests - Studying biomolecules by means of molecular modelling, structure determination and bioinformatics.
- Developing program packages for computer aided drug design (CADD) and conducting CADD for the design of compounds and novel therapeutic agents.
- Application of quantum mechanics and molecular mechanics for the simulation and study of structure, stability and reactivity of chemical species in the gas phase and in solution.
- Modelling organometallic catalysts for polymerization reactions.
About Jagadeesh
Jagadeesh is a scientist. He is specialized in utilizing computational tools for scientific discovery. Computational chemistry, computer aided drug discovery, computer aided molecular modeling, and bioinformatics are few of the terms used to define his specialization and expertise.
He obtained his masters degree in organic chemistry from Bangalore University and earned his PhD in Chemistry from Indian Institute of Science, India. Having passion for Science with applications in mind, he pursued his postdoctoral research in Max-Planck Institute, Germany which focused on novel catalyst design for a polymer research company. To explore the word of bio-macromolecules, he continued his postdoctoral fellowship in the College of Pharmacy, University of Michigan, USA. Later he worked on number of disease targets (diabetes, cancer, obesity), for couple of biotech companies in India and Singapore.
Jagadeesh has co-authored two patents, a grant application and number of pear reviewed international journal publications. Enjoys working in multidisciplinary team environment, has excellent interpersonal and communication skills. Over all, he has around ten years of professional research experience.
Tools of the trade: AMBER, NAMD, GROMACS, MOE, Schrödinger Suite of programs, PyMOL, VMD, Gaussian, GAMESS, NWChem, Sybyl, AlignX, Bio-Suit.
Skills: Homolog modelling, docking, pharmacophore modeling, QSAR, Conformational analysis, sequence analysis and electronic structure calculation, locating transition states for organic and organometallic compounds.
Jagadeesh’s Specialties:
Computational Chemistry, Computer aided molecular modelling, Bioinformatics.
Drug Discovery, Protein Engineering, Enzyme evolution, Molecular dynamics simulation, conformational analysis.
MSc in organic chemistry, PhD in theoretical organic chemistry and post-doctoral experience protein-ligand interaction modeling with four year of drug discovery experience in reputed pharmaceutical companies.
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| Education
| 2000 | Ph.D., Chemistry, Indian Institute of Science, Organic Chemistry Department, Bangalore, India |
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| Theoretical Studies of Electronic Effects on Structure and Reactivity of Highly Unsaturated Organic Systems. |
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| 1994 | M.Sc., Organic Chemistry, Bangalore University, Central College, Bangalore, India |
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| 1992 | B.Sc., Bangalore University, Govt. Science College, Tumkur, India |
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| Physics, Chemistry and Mathematics |
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Experience
| 2008-present | Research Scientist, BII/SERI, Singapore |
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| 2007-2008 | Staff Scientist II, Codexis, Singapore |
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| 2005-2007 | Senior Research Investigator II, Advinus Therapeutics, Pune, India |
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| 2003-2005 | Senior Scientist, Aurigene Discovery Technologies, Bangalore, India |
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| 2002-2003 | Postdoctoral Fellow, University of Michigan, Ann Arbor, USA |
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| 2000-2002 | Postdoctoral Fellow, Max-Planck-Institut fuer Kohlenforschung, Muelheim/Ruhr, Germany |
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Publications
- Differences in the transactivation domains of p53 family members: a computational study. M.N. Jagadeesh, A Madhumalar, Roger W Beuerman, David P Lane and Chandra Verma. BMC Genomics 2010, 11(Suppl 1):S5.
- V.R. Jensen, D. Koley, M.N. Jagadeesh and W. Thiel: DFT investigation of the single-center, two-state model for the broken rate order of transition metal catalyzed olefin polymerization. Macromolecules, 2005, 38, 10266-10278.
- M.N. Jagadeesh, W. Thiel, J. Koehler and A. Fehn:Hydrosilylation with bis(alkynyl)(1,5-cyclooctadiene)platinum catalysts: A density functional study of the initial activation. Organometallics, 2002, 21, 2076-2087.
- M.N. Jagadeesh, A. Makur and J. Chandrasekhar: The interplay of angle strain and aromaticity: Molecular and electronic structures of [0(n)]paracyclophanes. J. Mol. Model., 2000, 6, 226-233.
- M.N. Jagadeesh and J. Chandrasekhar: Computational studies on C36 and its dimer. Chem. Phys. Lett., 1999, 305, 298-302.
- G. Mehta, R. Uma, M.N. Jagadeesh and J. Chandrasekhar: New paradigms in cycloaddition face-selectivities: Remarkable effects of remote substituents in singlet oxygen addition to hexacyclo[7.5.1.01,6.06,13.08,12.010,14]pentadeca-2,4-diene system. J. Chem. Soc., Chem. Commun., 1998, 1813-1814.
- D. Ramkumar, M. Kalpana, B. Varghese, S. Sankararaman, M.N. Jagadeesh and J. Chandrasekhar: Cyclization of enediyne radical cations through chemical, photochemical, and electrochemical oxidation: The role of state symmetry. J. Org. Chem., 1996, 61, 2247-2250.
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