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. 2021 Jul 21;10(8):1501. doi: 10.3390/plants10081501

Table 3.

Values of solvation free energy (ΔGint) and free energy of assembly dissociation (ΔGdiss) of the most stable protein-herbicide models obtained by molecular docking simulations.

Herbicide Molecular Docking
∆Gint (kcal/mol) ∆Gdiss (kcal/mol)
Diuron −2.2 1.4
Terbuthylazine −1.4 1.5
Bentazon −0.5 −0.1
Metribuzin −1.5 1.1
Metobromuron −1.1 0.7