Fragment-based screening is now well-established as a powerful approach to early drug ("lead") discovery.
We have been building a Cloud-based platform where your XChem hits can both be publicised, but also analysed for progressing to potency. Thus, all the screens performed by the SGC, which are made fully public immediately, are served on Fraglaysis, and help demonstrate a new paradigm of serving structural ligand-binding data. Users are free to volunteer their data too.
Fragalysis also enables picking and calculating compounds with approximately cutting-edge computational tools, which we try to make as simple to access as possible to use. Thanks to a big investment from Janssen via the IMI-funded ULTRA-DD project, Fragalysis is now quickly turning from prototype into useful thing.
Fragalysis itself: fragalysis.diamond.ac.uk
Background, descriptions and development priorities at the fragalysis wiki
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