We have extensive knowledge in the computer aided drug design. Due to liabilities & IP issues associated with out-sourcing structure aided drug design, we are sensitive to our customers needs, and are currently offering cheminformatics services based in the United states.

We offer services in the following areas:

  • Computer-Aided Drug Discovery.
    • Protein structure-based design.
      • FlexX (Sybyl’s docking).
      • FRED (fast docking tool from Open Eye Scientific).
      • AMBER (MD Simulation).
      • MOE (from Chemical Computing Group).
      • LigandScout structure-based pharmacophore tool.
      • Binding site guided shape and pharmacophore virtual screening.
    • Ligand-based drug design.
      • 2D and 3D similarity search tools.
      • In-house developed QSAR tools.
    • Expertise on major molecular modeling packages (Sybyl, MOE, OE, AMBER).