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. Author manuscript; available in PMC: 2014 May 30.
Published in final edited form as: J Comput Chem. 2013 Feb 22;34(14):1226–1240. doi: 10.1002/jcc.23245

Table 4.

Summary of crossdocking success / failure rates for thermolysin family (N = 26 systems).

SGE FPSb FPS+MGEb
Na (%) Na (%) Na (%)
Matrix Success 178 26.33 176 26.04 227 33.58
Matrix Scoring Failure 302 44.67 291 43.05 269 39.79
Matrix Sampling Failure 196 28.99 209 30.92 180 26.63
Diagonal Success 11 42.31 10 38.46 21 80.77
Diagonal Scoring Failure 12 46.15 13 50.00 5 19.23
Diagonal Sampling Failure 3 11.54 3 11.54 0 0.00
a

Total of success + scoring failure + sampling failure = 676 for entire matrix; 26 for matrix diagonal.

b

Standard Euclidean similarity metric.