Table 6.
Target | Best | Consensus (+HYBRID)
|
Consensus (−HYBRID)
|
||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BCS | MVC | Mean | Med | Max | Min | BCS | MVC | Mean | Med | Max | Min | ||
|
|
|
|||||||||||
ADRB1 | 25 | 31 | 27 | 28 | 24 | 21 | 19 | 22 | 24 | 25 | 23 | 19 | 20 |
DRD3 | 10 | 13 | 7 | 12 | 11 | 4 | 11 | 12 | 5 | 10 | 9 | 4 | 8 |
GRIA2 | 47 | 49 | 46 | 45 | 33 | 24 | 28 | 41 | 31 | 31 | 25 | 22 | 18 |
BRAF | 29 | 29 | 23 | 22 | 15 | 21 | 6 | 22 | 20 | 17 | 11 | 19 | 4 |
CDK2 | 30 | 35 | 27 | 29 | 24 | 23 | 14 | 25 | 21 | 22 | 20 | 17 | 15 |
PLK1 | 10 | 8 | 8 | 5 | 4 | 7 | 1 | 4 | 4 | 3 | 3 | 5 | 0 |
SRC | 7 | 7 | 9 | 7 | 6 | 6 | 5 | 8 | 9 | 6 | 6 | 7 | 4 |
FABP4 | 32 | 34 | 32 | 32 | 32 | 13 | 6 | 32 | 32 | 26 | 30 | 11 | 6 |
ESR1 | 37 | 38 | 37 | 34 | 34 | 32 | 16 | 37 | 36 | 32 | 33 | 31 | 14 |
ESR2 | 40 | 35 | 34 | 31 | 28 | 26 | 9 | 32 | 30 | 27 | 23 | 26 | 7 |
ACE | 24 | 33 | 30 | 30 | 26 | 19 | 13 | 32 | 28 | 28 | 24 | 19 | 13 |
GLCM | 35 | 37 | 30 | 30 | 28 | 19 | 19 | 22 | 22 | 22 | 19 | 15 | 19 |
HDAC8 | 32 | 45 | 46 | 46 | 41 | 20 | 35 | 32 | 38 | 38 | 34 | 16 | 32 |
HIVNT | 15 | 19 | 21 | 17 | 11 | 13 | 10 | 15 | 18 | 16 | 13 | 12 | 11 |
PDE5A | 31 | 32 | 28 | 26 | 26 | 19 | 13 | 24 | 23 | 23 | 24 | 14 | 12 |
PTN1 | 26 | 35 | 37 | 35 | 32 | 30 | 20 | 35 | 32 | 32 | 28 | 27 | 18 |
ADA 17 | 17 | 19 | 17 | 16 | 17 | 11 | 4 | 14 | 16 | 15 | 15 | 10 | 3 |
FA10 | 27 | 26 | 30 | 33 | 30 | 23 | 19 | 25 | 29 | 32 | 28 | 22 | 18 |
HIVPR | 15 | 19 | 16 | 18 | 18 | 9 | 15 | 17 | 15 | 17 | 15 | 9 | 15 |
MMP13 | 30 | 34 | 25 | 26 | 24 | 20 | 18 | 23 | 20 | 22 | 21 | 16 | 15 |
TRY1 | 39 | 33 | 31 | 28 | 27 | 24 | 18 | 30 | 30 | 28 | 24 | 23 | 16 |
mean | 27 | 29 | 27 | 26 | 23 | 18 | 14 | 24 | 23 | 22 | 20 | 16 | 13 |
std. dev. | 11 | 11 | 11 | 11 | 10 | 8 | 8 | 10 | 9 | 9 | 8 | 7 | 7 |
Colors represent a 3-point gradient from worst (red) to best (green). “Best” indicates the best performance across docking programs.
BCS = boosting consensus score, MVC = mean-variance consensus.