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. 2021 Aug 20;61(9):4382–4390. doi: 10.1021/acs.jcim.1c00428

Figure 2.

Figure 2

Alternative scenarios for the methylation of the lysine sidechain. The maximum common substructure of lysine (left) and its methylated form (right). (A) Perturbation topologies are generated by maximizing the number of matching atoms and (B) by excluding atom matches that lead to perturbed bonds. Unperturbed atoms are highlighted in blue, perturbed atoms in red, and dummy atoms in gray.