Fig. 9

(a) RMSF and (b) Rg for apo-Mpro (pink), PubChem-162-396-453-Mpro (violet), PubChem-162-396-449-Mpro (light blue), PubChem-162-396-448-Mpro (gray), and nirmatrelvir-Mpro (dark violet) during the 100 ns MDS.

(a) RMSF and (b) Rg for apo-Mpro (pink), PubChem-162-396-453-Mpro (violet), PubChem-162-396-449-Mpro (light blue), PubChem-162-396-448-Mpro (gray), and nirmatrelvir-Mpro (dark violet) during the 100 ns MDS.