Applications of
Cheminformatics & Chemical Modelling
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Ghosh, I



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About Indira Ghosh
As a part of her Ph.D, Prof. Indira Ghosh worked on the enzyme specificity with respect to the stereochemical aspects of ligands. Her Ph.D thesis could be considered as an initial scientific study towards the development of the field known as ‘molecular docking’. She has worked on the implementation of many complex algorithms in the field of Molecular Dynamics and has contributed to the development of free energy calculations using the perturbation method. She has worked on designing inhibitors for acting on H+ K+ ATPase, and drug design (QSAR and toxicity prediction) for the lead series related to diseases including tuberculosis and malaria, for more than a decade during her association with AstraZeneca. Currently, she is supervising a major project related to force field development of Metalloproteases, involving excited state treatment of proton pumping phenomena of the ATPase which is funded by the Ministry of Communication and Information Technology and Department of Biotechnology, Government of India. Dr. Ghosh has extensive experience teaching Bioinformatics and Chemoinformatics at the post-graduate level. She has recently published a research article on finding the active fragment (MCBS) present in anti-tubercular compounds (J. Chem. Info. Model, 46, 17-23).

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