. 2021 Jun 1;12(6):928–934. doi: 10.1021/acsmedchemlett.1c00068

Table 1. Ensemble-Docking Results against the 20 SimRNA TAR Conformers That Harbored the Highest Scoring Binding Cavities^a.

ROC AUC	1% EF	2% EF
0.84	23.1	21.1

The ROC AUC and 1% and 2% EFs when using the ensemble-averaged docking scores to sort compounds in the TAR screening library. The virtual screening results for individual SimRNA conformers are listed in Table S4.

Table 1. Ensemble-Docking Results against the 20 SimRNA TAR Conformers That Harbored the Highest Scoring Binding Cavitiesa.

Table 1. Ensemble-Docking Results against the 20 SimRNA TAR Conformers That Harbored the Highest Scoring Binding Cavities^a.