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Molecular docking and structural analysis

Illustrative list of tasks
  • Ligand structure optimization
  • Construction of ligand library
  • Pharmakodynamics study
  • Target sequence retrieval
  • Homology modeling
  • Structure validation
  • Binding pocket prediction
  • Target preparation for binding studies
  • Docking
  • Binding pose analysis
  • Result validation using suitable tool
Example(s) of completed projects
  • Target protein modeling, virtual ligand screening, binding prediction, and in-silico lead identification for Type-II Diabetes, for Vittal Malya research Foundation group, Bengaluru, India.
  • Computational structural analysis to screen and dock ligands, in collaboration with VIT, Vellore, India.
Relevant publications
  • Applied biochemistry and biotechnology. [2014] 172(1):102-14
In house research

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