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. 2017 Jun 12;7:3219. doi: 10.1038/s41598-017-03088-y

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© The Author(s) 2017

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as 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 images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Relevance of residue fluctuations to the minimal radius of the active-site gorge in simulations of the TcAChE monomer (a), the TcAChE-E2020 complex (b), two chains of the apo dimer (c,d), and two chains of the complex dimer (e,f). Gorge residues are shown as red dots. Five subdomains are highlighted in yellow (the Ω-loop), green (S1), cyan (S2), blue (S3), and magentas (S4), the same colors used in Fig. 1a.