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

Figure 3.

Figure 3

Illustration of the maximum common substructure (highlighted in blue) if the partial ring match is allowed (top row). Perturbation topologies for each of the states (bottom row). Unperturbed atoms are highlighted in blue and dummy atoms in gray.