The high throughput crystallography facility at Diamond (XChem) can be combined with screening of crude reaction mixtures to rapidly identify how to improve the affinity of compounds (fragments and hits) binding to a protein to provide new chemical tools or start points for drug discovery.
In this Communications Chemistry paper, through a very large set of experiments, Vernalis and XChem teams investigated thoroughly how high-throughput screening of crude reaction mixtures by crystallography can complement off-rate experiments by SPR.