Figure 10

Molecular dynamics simulations trajectory analysis of TP53 & apigenin, AKT1 & silibinin, and PTGS2 & luteolin complexes for 200 ns. (A) The root mean square deviation (RMSD) for for all three complexes, (B) The root mean square fluctuation (RMSF) of TP53 & apigenin, (C) AKT1 & silibinin, and (D) PTGS2 & luteolin protein–ligand complexes during the molecular dynamics simulation.