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. 2019 Dec 19;10:5795. doi: 10.1038/s41467-019-13616-1

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© The Author(s) 2019

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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Fig. 3 — a Meta-dynamics molecular dynamics simulation was used to produce this free-energy surface. The simulation used a torsion describing the leaning angle of subunit A with respect to the other subunits and a distance describing how open the AC cleft is. b Mass spectrometry analysis of a mixture of human TNF (orange circles) and mouse TNF (blue circles) showing peaks corresponding to homotrimers and heterotrimers. c An equivalent analysis using human TNF pre-incubated with UCB-6876 (black triangle) showing that the compound blocks the exchange of mouse and human monomers.