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

Figure 7.

Figure 7

Different benzothiadiazine dioxide ligands of glutamate receptor A2 (GRA2), where different substituents (either a hydrogen or a fluoride atom) are represented with R (left). Multistate EDS topology representing all states, where the automatically recognized scaffold among the set of molecules (unperturbed atoms) is highlighted in blue, with one hydrogen and one fluoride atom attached to the common core to represent the substituents. A complete set of EDS states is shown in Figure S4.