TABLE 3.

Molecular dynamics simulation properties of native proteins and molecules of interest.

Receptor	Name	RSMF	RSM D	rGyr	SASA	MolSA	PSA
8FZM	Catechin glucoside	1.496±0.67	2.013±0.25	4.884±0.14	276.40±39.10	377.11±2.92	363.75±711
	Drevogenin D	1.397±0.51	0.761±0.18	3.805±0.02	283.57±1.92	315.57±1.92	171.18±6.64
	8FZM-alone	1.441±0.51			2.861±0.47
7K7U	Catechin glucoside	2.336±0.81	1.330±0.24	5.141±0.07	257.82±38.06	381.25±2.15	371.54±6.07
	Drevogenin D	4.868±1.41	0.635±0.12	3.769±0.02	438.25±117.3	314.38±1.80	161.52±3.71
	7K7U-alone	3.215±1.39			10.14±1.60

Note: the Angstrom unit (Å) was used to measure the mean ± SEM of the values. rGyr, radius of gyration; RMSD, root mean square deviation; RMSF, root mean square fluctuation; PSA, pressure swing adsorption; SASA, solvent-accessibility surface area; MolSA, molecular surface area.