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. Author manuscript; available in PMC: 2021 Jul 27.
Published in final edited form as: J Chem Inf Model. 2020 Jul 7;60(7):3648–3661. doi: 10.1021/acs.jcim.0c00452

Table 2.

Top 10 most predictive cNTnC conformers resulting from active/decoy screens.

Receptor Conformer Enrichment Factors AUCs
1LXF_M16 15.2 0.79
1LXF_M28 10.1 0.86
1LXF_M6 10.1 0.84
1LXF_M22 10.1 0.80
1LXF_M2 10.1 0.80
1LXF_M21 10.1 0.79
1LXF_M15 10.1 0.75
2KRD_M17 10.1 0.73
1LXF_M14 7.6 0.81
1LXF_M8 7.6 0.80