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. 2023 Feb 17;63(4):1249–1259. doi: 10.1021/acs.jcim.2c01269

Figure 6.

Figure 6

Suggested binding modes of compound 46 within the GCPII binding pocket. The binding mode based on the alignment of 46 with Model 4 is shown in blue; the binding mode proposed by the docking simulation is shown in green.