Skip to main content
. Author manuscript; available in PMC: 2023 Jan 1.
Published in final edited form as: Methods. 2021 Feb 4;197:97–105. doi: 10.1016/j.ymeth.2021.01.009

Table 2:

The success rate of Test set 224 for the different docking modelsa

Docking model Top 1 Top 3
RLDOCK30 55.3% 60.5%
DOCK625b 36.8% 44.7%
rDock43c 28.9% 47.4%
rDock_solv43c 39.5% 55.3%
AutoDock Vina44d 31.6% 44.7%
a

A prediction is successful if the best RMSD of the top binding modes is less than 2.0Å with respect to the native binding mode.

b

The data is obtained from Ref. 24.

c

For rDock and rDock solv, the cavity is defined using the reference ligand method, the radius of outer sphere is set as 5, and a final 50 runs-per-ligand rDock job is performed.

d

The centroid of the native ligand binding pose is set as the center of the docking box. The size of the docking box is set as 20Å ×20Å ×20Å