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. 2022 Jan 18;13:100212. doi: 10.1016/j.fochx.2022.100212

Fig. 4.

Fig. 4

Comparative analysis of selected interactions found after molecular docking (by HDOCK) of the enzyme-substrate complex (left) with the (enzyme-ligand)-substrate complex (right). Each (enzyme-substrate)/ (enzyme-ligand)-substrate complex forms hydrogen (green dotted line between amino acids of enzyme, substrate, and ligand) and hydrophobic bond (red half-circles) during the interaction.