Table 5.

Average RMSD values of ligand and backbone atomic positions together with average RMSF values of ligand and backbone atomic positions throughout four independent 20 ns molecular dynamics simulation production runs of hGSTP1-1/DM96, hGSTP1-1/DM151, hGSTP1-1/DM109, and hGSTP1-1/DMC complexes. The average values of all four production runs are presented as mean ± standard deviation.

Curcumin Derivative	Average Ligand RMSD (Å)	Average Backbone RMSD (Å)	Average Ligand RMSF (Å)	Average Backbone RMSF (Å)
DM96	0.35 ± 0.02	0.76 ± 0.03	1.25 ± 0.04	0.77 ± 0.02
DM151	0.44 ± 0.03	0.85 ± 0.04	1.55 ± 0.03	0.79 ± 0.01
DM109	0.63 ± 0.03	1.01 ± 0.07	1.81 ± 0.04	0.86 ± 0.06
DMC	2.10 ± 0.08	1.14 ± 0.06	1.83 ± 0.05	0.90 ± 0.07