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. Author manuscript; available in PMC: 2015 May 14.
Published in final edited form as: Methods. 2014 Sep 8;71:77–84. doi: 10.1016/j.ymeth.2014.08.017

Table 3.

Performance of docking screening based on the I-TASSER models relative to that on the X-ray bound structures or X-ray structures relaxed by FG-MD.

% Relative cutoff of successa (%) I-TASSER model vs. bound structureb
I-TASSER model vs. relaxed structurec
ER1% (%) ER5% (%) ER10% (%) ER1% (%) ER5% (%) ER10% (%)
50 75 70 80 80 85 85
60 65 70 75 75 85 80
70 65 70 65 70 75 75
80 45 60 60 65 65 55
90 40 35 45 60 55 55
100 30 25 25 45 45 50
a

Threshold for success defined as the fraction of the enrichment rate using the I-TASSER model to that using the X-ray bound structure or the relaxed X-ray structure.

b

The percentage of ER that reach the threshold using the I-TASSER models compared to that using the X-ray bound structure.

c

The percentage of ER that reach the threshold using the I-TASSER models compared to that using the X-ray structure relaxed by FG-MD.