Fig. 17 | Scientific Reports

Fig. 17

From: PEGylated liposomal metformin overcomes pharmacokinetic barriers to trigger potent mitochondrial disruption and cell cycle arrest in hepatocellular carcinoma

Fig. 17

MMPBSA Analysis and Energetic Decomposition. (A) Heatmap of per-residue energy contributions highlighting dominant interactions. (B) Residue-wise energy distribution showing electrostatic (EEL) and solvation (EGB) contributions. (C) Temporal evolution of the total binding energy (black line, average =  − 6.21 kcal/mol) over simulation frames, with fluctuations (shaded area: ± 1 SD) reflecting dynamic stability. Key residues (ARG:386, GLU:387) drive binding through electrostatic and solvation effects.

Back to article page