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. 2024 Apr 3;48(2):91–111. doi: 10.55730/1300-0152.2686

Figure 9.

Figure 9

Interactions of the reference molecule CHEMBL3617209 with the critical residues on the XPF binding site 3. Surface representation of CHEMBL3617209 on the XPF (a). Ligand interaction diagram of CHEMBL3617209 with critical residues mentioned (b). Time-dependent protein-CHEMBL3617209 contact panel throughout 100 ns MD simulations. The top-panel indicates the total contacts, while the bottom-panel indicates the formed and broken interactions (c). Interaction fractions and characterization of interactions of binding pocket residues of the XPF with CHEMBL3617209 throughout MD simulations (d).