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Example of cross-docking ICM scores (in kcal/mol units) obtained with holo conformers from 3-phosphoinositide dependent protein kinase-1 (PDPK1). The AUCs of the conformers are: 1UU8:0.94, 1OKY:0.94, 1UU9:0.93, 1OKZ:0.93, 1UU7:0.89, 1UU3:0.85, 2PE0:0.47, 2PE2:0.42, 2PE1:0.39, 1Z5M:0.38, 1H1W:0.36. The scores are shown for the cognate ligands from co-crystals 1OKY, 1OKZ and 2PE1.
