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. 2022 Jul 25;13(8):1302–1310. doi: 10.1021/acsmedchemlett.2c00215

Figure 8.

Figure 8

Highest ranked molecular docking solutions for (A) 4a, (B) 4b, (C) 5a, and (D) 5b (docked to 6HEZ.B; flexible side chains for Lys134, Trp230, Val365, Leu363, Lys418; toggled water molecules; solution number as in Table S2).

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