This website is no longer being maintained and will be retired in 2026. The Fragment Hotspots script is available on the CCDC Open Source Repo under an MIT license.
Identifying the interactions that determine fragment binding
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For information about how to interpret and use the results, please read the associated publication. If you find the results from this web tool useful, please cite:
Radoux, C.J.; Olsson, T.S.G.; Pitt, W.R.; Groom, C.R.; Blundell, T.L. Identifying the Interactions that Determine Fragment Binding at Protein Hotspots J. Med. Chem. 2016, 59 (9), 4314-4325
dx.doi.org/10.1021/acs.jmedchem.5b01980
This work was supported by the BBSRC (BB/L502686/1) and UCB