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. 2020 Nov 23;11:5944. doi: 10.1038/s41467-020-19560-9

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© The Author(s) 2020

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. 5 — For each binding complex in (a–d), the frustration indices are shown as calculated and shown on the left panel, and frustrations around the ligands only are shown on the right panel. e The correlation between the number of minimally frustrated interactions in each EGFR-inhibitor complex and the logarithm of binding affinity in the picomolar unit at a base of 2 is shown. A regression line is plotted to illustrated the trends with a modest pearson correlation of 0.45.