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. Author manuscript; available in PMC: 2012 Jan 15.
Published in final edited form as: J Comput Chem. 2011 Jan 15;32(1):81–98. doi: 10.1002/jcc.21601

Table 4.

Spearman Correlation Coefficients between Docking dRMSD (in parenthesis, between mindRMSD) and Each Predicted 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)
Seq_Id −0.62 (−0.66) −0.64 (−0.63) −0.87 (−0.86) −0.71 (−0.76)
RMSD(t) 0.53 (0.53) 0.67 (0.65) 0.75 (0.82) 0.38 (0.38)
Seq_Id-s −0.63 (−0.66) −0.58 (−0.61) −0.93 (−0.80) −0.76 (−0.79)
RMSD-s(t) 0.67 (0.65) 0.88 (0.86) 0.86 (0.76) 0.67 (0.55)
MolProbity −0.55 (−0.62) −0.51 (−0.54) −0.86 (−0.90) −0.83 (−0.77)
Verify3D −0.57 (−0.63) −0.65 (−0.72) −0.67 (−0.76) −0.63 (−0.72)