Table 2: Percentage of top 10 scored intercalated decoys with an RMSD less than 2.0 Å and higher than 4.0 Å among the four docking algorithms and their 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 |
1l1h |
10 |
0 |
20 |
50 |
40 |
100 |
20 |
40 |
2gb9 |
10 |
0 |
10 |
0 |
60 |
100 |
70 |
90 |
3ce5 |
0 |
0 |
0 |
0 |
30 |
80 |
50 |
100 |
3em2 |
0 |
0 |
10 |
30 |
50 |
100 |
40 |
50 |
3eqw |
0 |
0 |
10 |
0 |
100 |
100 |
30 |
50 |
3eru |
0 |
0 |
10 |
0 |
80 |
100 |
40 |
60 |
3es0 |
0 |
0 |
0 |
10 |
90 |
100 |
90 |
50 |
3et8 |
0 |
0 |
0 |
0 |
100 |
100 |
80 |
40 |
3eui |
0 |
0 |
10 |
0 |
70 |
100 |
60 |
90 |
3eum |
0 |
0 |
20 |
0 |
60 |
100 |
30 |
90 |
3nyp |
10 |
0 |
0 |
0 |
80 |
70 |
30 |
50 |
3nz7 |
0 |
0 |
20 |
10 |
50 |
100 |
20 |
70 |
3qsc |
0 |
0 |
0 |
0 |
100 |
100 |
100 |
100 |
3qsf |
0 |
0 |
0 |
0 |
100 |
100 |
100 |
100 |
Mean |
2.14 |
0.00 |
7.86 |
7.14 |
72.14 |
96.43 |
54.29 |
70.00 |