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. 2017 Apr 28;18:18. doi: 10.1186/s40360-017-0128-7

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© The Author(s). 2017

Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

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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