Computer-Aided Drug Design Unit

The unit integrates advanced target structure modeling, molecular docking, and structure-based drug design, leveraging state-of-the-art computational algorithms.

It employs a combination of commercial and open-source platforms, including Schrödinger, BioSolveIT, LigandScout, RDKit, and OpenBabel, to perform virtual screening and predict molecular interactions.

In addition, the unit conducts in-house analysis and refinement of raw computational results to support rational drug discovery and lead optimization processes.