WEBINAR: Protein-ligand interaction search: Discover 3decision's latest feature and generate ideas for scaffold hopping
In early drug discovery, coming up with rational ideas for chemically novel and biologically active compounds is no easy task. To assist the project team in this crucial ideation process, we introduce a new tool that allows you to quickly collect new starting points and alternative scaffolds by scanning the PDB for similar interaction patterns.
In this webinar, Gabriella Jonasson will present one of 3decision's latest features - the protein-ligand interaction search. During the presentation, she will show you how to mine the entire protein-ligand interaction structural knowledge base for systems containing a specific 3D interaction pattern. She will then overlay and compare the results to our query structure in order to design new ideas on the fly.