Table 3.

Average values and ranges of RMSD, RMSF, Rg, and SASA for each protein–puerarin complex during the 100 ns molecular dynamics simulation.

S. nos	Phytochemicals	Average RMSD (nm)	Average RMSF (nm)	Average Rg (nm)	Average SASA (nm2)
1	Puerarin-AKT1 complex	0.21±0.02	0.12±0.06	1.41±0.01	75.72±2.14
2	Puerarin-ALB complex	0.48±0.06	0.20±0.08	2.68±0.02	297.99±6.50
3	Puerarin-IL6 complex	0.38±0.04	0.17±0.09	1.63±0.01	96.01±2.57
4	Puerarin-NFKB1 complex	0.31±0.03	0.13±0.08	1.74±0.02	113.78±2.74