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

Figure 10.

Figure 10

Interactions of compound AH-487/40936989 from the SPECS library with the critical residues on the XPF binding site 3. Surface representation of AH-487/40936989 on the XPF (a). Ligand interaction diagram of AH-487/40936989 with critical residues mentioned (b). Time-dependent protein-AH-487/40936989 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 AH-487/40936989 throughout MD simulations (d).