We work closely with medicinal chemists and biologists to support the design of novel compounds and accelerate drug discovery projects. A large range of CADD services are fully integrated in MedChem projects (hit to lead and lead optimization programs) but are also available independently on request.
|Pharmacophore-based virtual screening (hit discovery, scaffold hopping)|
|ADME and physicochemical property prediction|
|in silico profiling (off-target activity)|
|Docking (SAR and binding mode analysis)|
|Bioinformatics (homology modeling, active site identification)|
|Data mining and data visualization/analysis|
|Design and enumeration of virtual chemical libraries|