Fig. 5 | Scientific Reports

Fig. 5

From: Comparative study of the chemical profile, cytotoxic activity, and molecular docking of Serenoa repens extract and a pharmaceutical product

Fig. 5

Analyses of ligand-protein interactions over the molecular dynamics simulation trajectory. (A) Schematic diagram depicting detailed polar and nonpolar contacts between the atoms of compound 37 and surrounding CDK2 binding site residues. Key stabilizing interactions are labeled. (B) Normalized stacked bar chart quantifying the per-residue interaction analysis of compound 37 with CDK2 over the simulation timeframe.

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