Figure 5 | Scientific Reports

Figure 5

From: Novel inhibitor discovery and the conformational analysis of inhibitors of listeriolysin O via protein-ligand modeling

Figure 5

The decomposition of the binding energy on a per-residue basis in the binding sites of the LLO-Myr complex (a), LLO-Mor complex (b), LLO-Bac complex (c), LLO-Chr complex (d) and LLO-Nar complex (e). (black histograms: ΔEvdw; red histograms: ΔEele; green histograms: ΔEsol; blue histograms: ΔEtotal). The distances between Tyr427 and the 4H-chromen-4-one moiety of ligands in the complexes are shown as a function of time (f).

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