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. 2016 Jan 12;17:26. doi: 10.1186/s12859-015-0874-8

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© Shivashankar et al. 2016

Open Access This 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. 12 — Plot of the RMS distance between ligand surfaces after alignment using MS3ALIGN and SURFCOMP. (left) Plot for the dataset of thermolysin inhibitor ligands. The ligands are identified by the PDB they were extracted from. (right) Plot for the dataset of ligands bound to DHFR enzymes. The ligands are identified by their abbreviation