Services

Computational Chemistry

Protein Structure-Based Drug Design (SBDD): Molecular Docking, Molecular Dynamics and Homology Modeling.

  • SAR Structure-Activity Relationship: analyzing nominated target information,  designing, and helping prioritize ideas for promising ligands.

  • Virtual screening for big datasets, including commercial libraries.

  • Fragment virtual screening and library generation, including translation into commercial libraries (search of similar ligands).
     

  Ligand-Based Drug Design (LBDD):
  • Quantitative Structure-Activity Relationship analysis (2D and 3D QSAR/QSPR): Linear Regression, Discriminant Analysis, Machine Learning.
  • Pharmacophoric approaches.
  • Molecular fingerprints: search of similar ligands in commercial vendors.
  • Chemical library design.
     

 Data Science

  We collaborate across multiple industries:

  •   Life Sciences

  •   Healthcare

  •   Real estate

  •   Marketing and sales