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An In Silico Analysis of the Binding Modes and Binding Affinities of Small Molecule Modulators of PDZ-Peptide Interactions

Figure 2

Clustering of PDZ modulator.

(A) Heatmap depicting the clustering of known inhibitors of PDZ domains on the basis of their similarities in chemical structures. (B) Dendrogram depicting the clustering of known inhibitors of PDZ domains. Chemical structures of representative inhibitors from each cluster are also shown.

Figure 2

doi: https://doi.org/10.1371/journal.pone.0071340.g002