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. 2021 Jan 3;1230:129868. doi: 10.1016/j.molstruc.2020.129868

Table 1.

The binding energies of molecules 3a-j and C with the SARS-CoV-2 N-terminal RNA binding domain residues.

Image, table 1
Molecules Estimated Total Energy (kcal/mol)
GEMDOCK DOCKTHOR SWISSDOCK
3a -78.86 -7.84 -6.40
3b -78.42 -7.77 -6.17
3c -86.05 -8.12 -6.85
3d -86.00 -7.83 -6.91
3e -68.90 -7.68 -6.37
3f -73.11 -7.23 -6.11
3g -72.08 -7.94 -6.18
3h -64.23 -7.44 -6.19
3i -89.37 -7.94 -6.33
3j -85.33 -8.10 -6.98
C -81.02 -6.90 -6.75