Personal Information
Organization / Workplace
New Delhi Area, India India
Occupation
Professor at Shiv Nadar University
Industry
Education
About
My research uses computational and cheminformatic methods for the discovery of molecules and materials with specific chemical and biological properties, and the development of cheminformatics software. I have worked on the development of novel molecular descriptors and robust property modeling methods for the prediction and interpretation of protein-ligand binding and protein similarity classification.
Currently active research programs include:
1. Drug, polymer and nanomaterials design through quantitative structure-activity/property relationship modeling (QSAR/QSPR), statistical learning algorithms and target-based chemogenomics;
2. Protein and DNA bioinformatics using a combination of...
Tags
polymers
networks
protein modeling
drug discovery
electron density descriptors
qsar
degree assortativity
similarity networks
chemical libraries
diversity-oriented synthesis
small world
metabotropic glutamate receptors
docking
network
chemical space
protein binding sites
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