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Ligand–protein interactions of compound 12 (up) and compound 14 (down) with BuChE. Notable dissimilarities regarding the pivotal salt bridge between Asp70 in the PAS and the secondary amine of the linker as well as the π-π stacking formed by Trp82 in the mid-gorge of BuChE are presented. The persistence of each contact is represented as the participation percentage of the whole simulation time, seen as a value above the arrow depicting particular interaction.
