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. 2019 Feb 7;9:1600. doi: 10.1038/s41598-018-35835-0

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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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Comparative pairwise score plots demonstrating ligand induced conformational sampling. Each row illustrates the conformational sampling of each ligand un/bound complex (black) in relation to the four known conformational states (see legend). Each column describes the projection of each complex onto the top three eigenvectors (PC1: linear opening, PC2: twist closing, PC3: linear closing).