Fig. 9

(a) RMSD plots illustrating the dynamics of ligand 7e, IAP protein, and their combined complex. (b) RMSF graph highlighting the fluctuation and flexibility within the IAP protein residues. (c) Time-course SASA plot depicting solvent exposure regions of the IAP protein. (d) Temporal trajectory of the IAP protein’s Radius of Gyration (Rg), indicating its conformational compactness