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. 2018 Mar 29;8:5374. doi: 10.1038/s41598-018-23624-8

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© The Author(s) 2018

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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Contacts per Mincle residue as a function of simulation time for diesters (run 1). (a) 2 × C4, F1 acyl chain; (b) 2 × C4, F2 acyl chain; (c) 2 × C18, F1 acyl chain; (d) 2 × C18, F2 acyl chain. Contacts were monitored for the individual residues of Mincle (shown on the y-axis) over the simulation time. The contact map is colored according to the number of contacts formed. The data for run2 is shown in Supplementary Figure S15.