|
|
|
Top-1 pose |
Top-1 pose |
Top-1 pose |
Top-1 pose |
Top-5 poses |
Top-5 poses |
Top-5 poses |
Top-5 poses |
|
|
|
RMSD (Å) |
RMSD (Å) |
lDDT-PLI |
lDDT-PLI |
RMSD (Å) |
RMSD (Å) |
lDDT-PLI |
lDDT-PLI |
|
Method |
n |
SR (%) |
median |
mean |
std |
SR (%) |
median |
mean |
std |
Blind docking |
Autodock Vina |
255 |
3.92 |
11.84 |
0.20 |
0.24 |
5.49 |
7.70 |
0.30 |
0.25 |
|
SMINA |
256 |
3.52 |
12.06 |
0.20 |
0.23 |
6.25 |
7.97 |
0.30 |
0.26 |
|
GNINA |
256 |
4.69 |
18.47 |
0.17 |
0.26 |
9.38 |
9.44 |
0.28 |
0.29 |
|
TANKBind |
256 |
4.30 |
7.65 |
0.29 |
0.25 |
|
|
|
|
Best pocket |
Autodock Vina |
252 |
4.76 |
8.52 |
0.28 |
0.25 |
10.71 |
5.62 |
0.40 |
0.27 |
|
SMINA |
253 |
4.35 |
8.51 |
0.27 |
0.24 |
12.25 |
5.83 |
0.38 |
0.27 |
|
GNINA |
253 |
8.70 |
7.46 |
0.33 |
0.28 |
14.62 |
5.69 |
0.43 |
0.28 |
|
TANKBind |
253 |
5.53 |
6.15 |
0.36 |
0.26 |
|
|
|
|
|
DiffDock |
252 |
21.03 |
4.15 |
0.48 |
0.29 |
32.94 |
3.07 |
0.58 |
0.27 |