Table 3.
Spearman Correlation Coefficients Between Docking dRMSD (in parenthesis, between mindRMSD) and Each Calculated Quality Index, for the Whole Test Set and for Some Subsets (see Text).
Whole test set (248 cases) | 2AK3 + 1UKZ (36 cases) | 1CBS + 1FEN (22 cases) | 1EJN + 1TNG (36 cases) | |
---|---|---|---|---|
RMSD | 0.66 (0.74) | 0.56 (0.61) | 0.87 (0.91) | 0.78 (0.78) |
GDT_HA | −0.67 (−0.74) | −0.71 (−0.78) | −0.85 (−0.92) | −0.79 (−0.80) |
RMSD-s | 0.75 (0.83) | 0.88 (0.92) | 0.77 (0.81) | 0.65 (0.71) |
dRMSD-s | 0.68 (0.80) | 0.87 (0.93) | 0.80 (0.83) | 0.72 (0.83) |
ACS | −0.70 (−0.75) | −0.90 (−0.88) | −0.76 (−0.87) | −0.82 (−0.80) |