Computer-Aided Drug Design Unit

BCDD combines computational aspects in the drug discovery process, in particular, target-structure modeling, molecular docking and structure based drug design by using in state-of-art algorithms.

For this, we use in software suits of Schrödinger, BioSolveIT and Inte: Ligand (LigandScout), as well as non-commercial tools such as RDkit and OpenBabel. However, analysis of the raw results is in-house.