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. 2017 Sep 7;7:10765. doi: 10.1038/s41598-017-11370-2

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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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Three-dimensional complexes of the fluorescent probes 10a (left) and 10b (right) bound to the 5-HT_2B receptor obtained from extended molecular dynamics simulation with a total time of 1.6 μs (2 times × 800 ns). The upper panel highlights ligand-receptor interactions of a representative structure. The lower panel includes information about the dynamic properties and stability of the ligand binding by depicting frames each 50 ns along a total simulation time of 800 ns. The RMSD values are calculated for DOI or the fluorescent tag with respect to the average structure at 800 ns.