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. 2021 Apr 13;11:8002. doi: 10.1038/s41598-021-87061-w

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© The Author(s) 2021

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 licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence 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 licence, visit http://creativecommons.org/licenses/by/4.0/.

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Varied principal dynamic motion of helix 12/AF-2 region (in brown color) and the β-sheet/helix 6 (in yellow color) in the ligand-binding pocket of LXRα (A) and LXRβ (B) by binding with different D3 and L3 derivatives. LXRα and LXRβ were shown as new cartoon and molecules were shown as licorice in green. Arrows for principal dynamic motion are shown as blue. The images were made with VMD (v1.9.2, http://www.ks.uiuc.edu/Research/vmd/)¹⁰¹ based on principal component analysis (PCA) of our molecular dynamics simulation trajectories.

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