Fig. 5

Molecular dynamic study of PPARG–Tanshinone IIA interaction. A Variation of the root mean square deviation (RMSD) plot of the systems during the 50 ns MD simulations; B root mean square fluctuation (RMSF) of the Cα atoms of PPARG systems in the 50 ns MD simulations; C Top 10 amino acid residues that contribute the most to the binding energy; D changes in the number of hydrogen bonds between small molecules and proteins during molecular dynamics simulations