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. 2022 Feb 28;20(3):179. doi: 10.3390/md20030179

Figure 4.

Figure 4

RMSDs of dimeric Mpro (A) and aurasperone A inside the Mpro’s active site (B) along with the previously reported co-crystalized inhibitor YD1 (C) over 150 ns. The MDS experiment was carried out twice.