Oxford Drug Design has invested heavily in establishing robust and secure processes for building and updating our Scopius compound database: with over 23 million unique molecules, it is among the world's largest high-quality databases of commercially available and easily synthesized drug candidate compounds.
We use a combination of structure- and ligand-based virtual screening to find ligands for target proteins.
ElectroShape is a super-fast, proprietary ligand-based tool that captures the shape and charge distribution of molecules in a set of numeric descriptors. Without the need to align the structures, the method is able to search a database of millions of commerically-available compounds in just a few minutes.
Our structure-based virtual screening uses a combination of in-house and commercial docking tools to fit database compounds into a protein. This is combined with additional scoring techniques to identify molecules for purchase.