Here we highlight a paper by authors at University of Limerick who used CCDC’s Molecular Complementarity component in Mercury to predict co-crystalization—finding a 24% reduction in the benchtop experiments required to identify the same co-crystals. This is part of our series highlighting examples of the Cambridge Crystallographic Data Centre (CCDC) tools in action by scientists around the world.
2022 is set to be an exciting year with the 7th CSP Blind Test coming to an end, meaning we’ll get to see just how far CSP methods have come over the last few years. While the second phase of the blind test is ongoing, here we’ll take a close look at one of the challenges set for participants that has already ended, the PXRD-assisted challenge, and reveal the observed crystal structure of the target compound, methyl-anthranilate.
According to a recent article in Nature Reviews Drug Discovery, the Food and Drug Administration (FDA) in the US approved 50 novel therapeutics in 2021. 28 are small molecules (other than peptides and radiolabelled molecules). In this blog, we look at the newly approved therapeutics available in the Cambridge Structural Database (CSD).
In this addition to our CSD Educators series, we hear from Dr Louise Dawe, an associate professor in the Department of Chemistry and Biochemistry at Wilfrid Laurier University in Waterloo, Ontario, Canada. Louise is a collaborator and champion of the CSD—helping to develop some of our classroom modules. Here, she outlines current examples of collaborative crystallography workshops and schools in the Americas that can help educators plan future structural science events. It is based on a lecture presented by the author at the 2020 IUCr Congress and General Assembly.