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Fig. 10 | BMC Pharmacology and Toxicology

Fig. 10

From: Large-scale detection of drug off-targets: hypotheses for drug repurposing and understanding side-effects

Fig. 10

Comparison of captopril docking and ACE MIF similarity based ligand superimposition for the top three captopril cross-reactivity targets. The RMSD is that between ligand poses predicted by FlexAID (salmon) compared to those obtained upon the superimposition of the target and potential cross-reactivity target using the MIF similarities obtained with IsoMIF (cyan). The color-coded similarities identified by IsoMIF for specific probe types are shown as spheres. Pairs of large and small spheres represent corresponding (similar) probes in the query and target binding-sites respectively

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