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. 2019 Jul 11;14(16):1528–1536. doi: 10.1002/cmdc.201900293

Figure 5.

Figure 5

Examples of models used for the QM calculations, showing from left to right, compound 1 with Asn160, compound 2 with Arg144‐Ile145, and compound 3 with Ser237‐Gly238.