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. Author manuscript; available in PMC: 2020 Jan 1.
Published in final edited form as: J Comput Aided Mol Des. 2018 Jul 10;33(1):19–34. doi: 10.1007/s10822-018-0133-y

Fig. 15:

Fig. 15:

Performing the scoring and affinity ranking process again using ligand structural information for(a) CatS and (b) p38α. The best and worst overall submissions from the original challenge are shown with the new results. Using this process, we had worse performance on predicting CatS affinity rankings but much better performance on p38α.