Molecular Modelling

We offer a wide spectrum of computational chemistry services to identify hit, hit to lead, lead optimization, target focused libraries, virtual high-throughput screening (vHTS), molecular docking, prediction of ADME / Tox and Quantitative Structure-Activity Relationships.

Our services are flexible & customized to meet client’s specific tasks such as

1. Homology modeling, active site identification and comparative analysis of binding sites in targets.
2. Development of pharmacophores based on ligand and/or receptor structures.
3. Virtual screening of a library of compound collections (V-HTS) using pharmacophores derived from protein structures.
4. Analysis and prediction of protein-ligand complexes: database searching, docking and design.