Personal Information
Entreprise/Lieu de travail
New Delhi Area, India India
Profession
Professor at Shiv Nadar University
Secteur d’activité
Education
À propos
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...
Mots-clés
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
Tout plus
Présentations
(3)Personal Information
Entreprise/Lieu de travail
New Delhi Area, India India
Profession
Professor at Shiv Nadar University
Secteur d’activité
Education
À propos
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...
Mots-clés
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
Tout plus