The article “Virtual screening of the SARS-CoV-2 main protease” was published at https://covid19.galaxyproject.org/ and dedicated to a study aimed at identifying promising candidate ligands. The InformaticsMatters, XChem, and European Galaxy teams joined forces to create and execute a Galaxy workflow for performing and evaluating molecular docking on a mass scale based on a set of matching fragments. To select fragments, Chemspace was used as one of the databases. Once again, Chemspace becomes a source of new hit molecules.
We are always open to new collaborations.