After decades of progresses in structure elucidation, knowledge about the architecture of target-ligand complexes sometimes still remains a luxury. Therefore, it can become inevitable to rely on information from known binders and actives to push a drug discovery project to a success. Ligand-based drug discovery (LBDD) comprises computational methods on compound evolution, scaffold hopping, and lead generation without the need of any details on the ligand’s binding mode. Starting from only a single molecule, novel leads can effectively be found based on the molecular shape and features of the reference compound.
In this webinar Alexander will give an introduction to SeeSAR 12 ‘Narcissus’ and the new Similarity Scanner Mode. Detailed insights how to align molecules and perform a compound-based virtual screening will be provided and illustrated with hands-on examples.
Participants can request a certificate of attendance.
