Table 2.

Ligand assessment teams and methods

Assessment Team ID	Team members	Assessment method
AT01	C. Shao	wwPDB validation report pipeline (Mogul)
AT02	P. Emsley	Coot Tools
AT03	B. Schneider, J. Černý	Nucleic acid conformations, protein hydration analysis
AT04	J.S. Richardson, C.J. Williams, V. Chen, D. Richardson	Contact analysis, probescore, occupancy, UnDowser, CaBLAM, visual examination
AT05	C.I. Williams, Chemical Computing Group Support Team	Pharmacophore density fields (PH4)
AT06	B. Sellers, A. Gobbi, S. Noreng, Y. Yang, A. Rohou	Molecular Mechanics Force Field Strain Energy (MM), Neural Net Potential Energy (NNP)
AT07	G. Pintilie, M. Schmid, W. Chiu	Q-score analysis