We undertake FTE based projects in computational drug discovery for our clients. All projects are executed under a CDA to ensure confidentiality for our clients.
Our expertise extends over a range of targets that include Kinases, APIs, GPCRs, Ion Channels, proteases as well as therapeutic areas such as oncology, diabetes, metabolic diseases etc. Our team is professionally trained in Medicinal Chemistry with extensive hands-on experience of computational chemistry, practical approaches and deep understanding the cycle of drug discovery.

Services include:

• Virtual screening (docking, shape alignment etc).
• Pharmacophore searches.    
• Protein modeling /docking.
• Quantitative structure-activity relationship.
• ADME Property Prediction, combinatorial chemistry and structure-based design.
• Computer Aided Drug Design (CADD).
• Quantum chemistry based thermodynamic, spectroscopic and kinetic parameters.
• Monte carlo for phase equilibria.
• Molecular dynamics.
• Finite Difference and Finite Volume Navier Stokes CFD and reactive flow dynamics.