Fragment Screening

Download site of final models of X-ray fragment screening at Diamond’s XChem facility. Each link is an archive of PDB models and some experimental information. Full details available upon request (Frank von Delft). We welcome any feedback, no matter how terse, on the usefulness of these structures; collaboration ideas for follow-up chemistry are also welcome.

Note that many of these datasets are also available in Fragalysis which provides a user interface for exploring fragment hits and prioritising the next steps of compound elaboration.