|
Dataset
|
Top-n [%]
|
All [%]
|
PRANK [%]
|
Δ
PRANK
|
PLB [%]
|
Δ
PLB
|
VOL [%]
|
Δ
VOL
|
|---|
|
Fpocket predictions
|
|
CHEN11
|
47.9
|
71
|
58.8**
|
+10.6
|
49.8
|
+1.9
|
34.5
|
-13.4
|
|
ASTEX
|
58
|
81.1
|
63.6
|
+5.6
|
56.6
|
-1.4
|
32.2
|
-25.9
|
|
DT198
|
37.5
|
80.2
|
56.2
|
+18.8
|
43.2
|
+5.7
|
19.3
|
-18.2
|
|
MP210
|
56.6
|
78.8
|
67.7
|
+11.1
|
54.5
|
-2.1
|
30.6
|
-26
|
|
B48
|
74.1
|
92.6
|
81.5
|
+7.4
|
72.2
|
-1.9
|
42.6
|
-31.5
|
|
U48
|
53.7
|
88.9
|
77.8
|
+24.1
|
66.7
|
+13
|
31.5
|
-22.2
|
|
ConCavity predictions
|
|
CHEN11
|
47.9
|
52.3
|
50.7**
|
+2.8
|
50.4
|
+2.5
|
50.2
|
+2.3
|
|
ASTEX
|
55.2
|
65.7
|
62.9
|
+7.7
|
62.9
|
+7.7
|
63.6
|
+8.4
|
|
DT198
|
45.8
|
65.6
|
61.5
|
+15.6
|
56.8
|
+10.9
|
59.4
|
+13.5
|
|
MP210
|
57.4
|
68.2
|
66.1
|
+8.7
|
64.9
|
+7.3
|
64.6
|
+6.9
|
|
B48
|
66.7
|
81.5
|
77.8
|
+11.1
|
79.6
|
+13
|
75.9
|
+9.3
|
|
U48
|
64.8
|
77.8
|
74.1
|
+9.3
|
75.9
|
+11.1
|
70.4
|
+5.6
|
- PLB - rescoring by the Propensity for Ligand Binding index based on amino acid composition of pockets [29].
- VOL - rescoring by approximate volume.
-
**cross-validation results.
- The number presented for rescoring methods (columns: PRANK,PLB,VOL) is the success rate considering Top-n predicted pockets measured by DCA criterion with 4 Å threshold.
