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. 2020 Dec 3;60(12):6298–6313. doi: 10.1021/acs.jcim.0c01038

Table 4. Summary Table of the Benchmarka.

methodology Prime MM MOE MD Moloc conformator ETKDG MMFF94s UFF CCDC
RMSDheavy atoms (Å) 0.878 0.655 0.765 1.052 1.910 1.990 2.165 1.793 2.083 2.067
RMSDbackbone (Å) 0.396 0.383 0.417 0.562 0.652 0.801 0.743 0.668 0.766 0.476
number of conformations 972 300 76 1000 67 338 1000 998 535 8
TF 707 100 48 59 67 338 1000 998 535 8
span RoG (Å) 1.02 0.93 0.74 0.85 0.86 0.87 0.82 1.13 1.08 0.15
exhaustiveness 1.00 1.00 1.00 1.00 1.00 0.91 1.00 0.95 0.95 1.00
SE 0.76 0.33 0.63 0.06 1.00 0.66 1.00 0.95 0.95 0.75
speed 9.8 min 3.9 h 31.1 min 3.1 d 38.9 min 17.9 h 35.1 s 1.3 min 17.6 s 2.6 s
a

Data are medians.