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. 2021 Jun 1;11:11417. doi: 10.1038/s41598-021-91069-7

Table 2.

Effect of the application of consensus binding pose filter in case of using combination of four used software (AutoDock Vina, ICM, LeDock, rDOCK).

Structures used for CBP active/inactive Percentage of active compounds in list (%) Top 25 Top 50 Top 100
Initial dataset (no CBP) 67/1933 3.35 14 24 31
4 structures 27/350 7.16 10 16 19
4IGH + 6J3C 30/457 6.16 12 19 21
6J3C 36/609 5.58 14 17 25
4IGH 40/758 5.01 14 19 26
5ZF4 37/745 4.73 14 17 25
6GK0 40/851 4.49 14 18 27