Table 5.

The average of RMSD, RMSF, Rg, and SASA for RBD during the last 20 ns of MD simulations. PubChem IDs of derivatives Rb9 and Rb3 are 125429633 and 56950846, respectively.

Complex	Mean RMSD (Å)	Mean RMSF (Å)	Mean Rg (Å)	Mean SASA (Å)
RBD	3.47 ± 0.12	0.95 ± 0.48	17.5 ± 0.06	8785 ± 128
RBD–Rb9	2.45 ± 0.18	1.2 ± 0.63	18.1 ± 0.07	10,514 ± 148
RBD–Rb3	2.41 ± 0.14	1.2 ± 0.63	18.2 ± 0.08	10,582 ± 152
RdRp–griseofulvin	2.17 ± 0.19	1.04 ± 0.50	18.1 ± 0.08	10,554 ± 155