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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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