Research
Interests
Chemoinformatics & Computational
Chemistry
- Receptor based drug design
- Ligand based design
- Structural biology for study of
protein structure and function
- Designing of focused chemical
library for combinatorial synthesis
- Pharmacophore design from natural
products & database mining
- Free energy calculation using
cyclic perturbation dynamical methods
- Molecular recognition with
particular reference to protein-protein
as well as protein-small molecule
recognition phenomena
Bioinformatics
- Understanding the control of gene
expression in slow growing bacteria
& parasites
- Application of techniques like
Artificial Neural Network, HMM ,
Genetic algorithm, fuzzy logic sets
etc. in prediction of gene expression .
- Identification of disease related
to target genes/proteins using
comparative genomics, pathway analysis
and chemical feasibility
- Mapping protein surfaces using
fractal dimensions
Data Mining & Knowledge
Management
- Building specialized knowledge
bases through custom curation of
publicly available information
- Tools to intelligently mine public
domain databases
- Customized literature searches
- Need based knowledge management
solutions
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