Table 1: Percentage of the top 10 scored minor groove decoys with an RMSD less than 2.0 Å and higher than 4.0 Å among the four docking algorithms and associated scoring functions.
PDB code |
Percentage of decoys with RMSD <2.0 Å |
Percentage of decoys with RMSD >4.0 Å |
ASP |
ChemScore |
GoldScore |
Autodock |
ASP |
ChemScore |
GoldScore |
Autodock |
1d63 |
0 |
10 |
40 |
70 |
90 |
70 |
30 |
30 |
1eel |
20 |
10 |
10 |
0 |
80 |
60 |
60 |
50 |
2b0k |
10 |
0 |
20 |
100 |
90 |
80 |
70 |
0 |
2b3e |
10 |
30 |
20 |
0 |
80 |
60 |
70 |
100 |
2dbe |
10 |
0 |
10 |
100 |
80 |
70 |
80 |
0 |
2f8w |
0 |
0 |
10 |
0 |
100 |
100 |
90 |
100 |
2gvr |
0 |
0 |
10 |
30 |
90 |
100 |
90 |
70 |
3oie |
0 |
0 |
10 |
70 |
90 |
100 |
70 |
30 |
3u05 |
20 |
10 |
10 |
100 |
60 |
60 |
60 |
0 |
3u08 |
10 |
10 |
20 |
100 |
80 |
80 |
70 |
0 |
4z4b |
0 |
0 |
0 |
0 |
100 |
100 |
100 |
100 |
109d |
20 |
10 |
20 |
100 |
80 |
80 |
70 |
0 |
360d |
0 |
10 |
10 |
70 |
100 |
90 |
60 |
0 |
459d |
0 |
0 |
10 |
0 |
100 |
100 |
60 |
100 |
Mean |
6.43 |
6.43 |
14.29 |
52.86 |
87.14 |
82.14 |
70.00 |
41.43 |