|
|
|
Top-1 |
Top-1 |
Top-1 |
Top-1 |
Top-5 |
Top-5 |
Top-5 |
Top-5 |
|
|
|
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 |
360 |
14.72 |
7.82 |
0.36 |
0.34 |
25.28 |
5.71 |
0.47 |
0.34 |
|
SMINA |
362 |
17.40 |
7.75 |
0.37 |
0.34 |
27.07 |
5.67 |
0.47 |
0.34 |
|
GNINA |
362 |
22.65 |
8.68 |
0.38 |
0.38 |
30.66 |
4.84 |
0.49 |
0.36 |
|
TANKBind |
363 |
9.09 |
6.39 |
0.35 |
0.27 |
|
|
|
|
Best pocket |
Autodock Vina |
359 |
29.81 |
5.01 |
0.53 |
0.34 |
47.35 |
2.19 |
0.67 |
0.31 |
|
SMINA |
361 |
30.75 |
5.00 |
0.53 |
0.34 |
45.71 |
2.41 |
0.66 |
0.30 |
|
GNINA |
361 |
42.11 |
2.61 |
0.62 |
0.34 |
55.96 |
1.71 |
0.72 |
0.28 |
|
TANKBind |
362 |
11.60 |
5.09 |
0.44 |
0.25 |
|
|
|
|
|
DiffDock |
361 |
37.67 |
3.24 |
0.59 |
0.31 |
44.04 |
2.55 |
0.67 |
0.27 |