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.

  • Infrastructure
  • Research Capabilities

 

Computational Tools

Hardware

CADD Software

In-House Tools

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