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. 2022 Nov 9;12:19037. doi: 10.1038/s41598-022-23006-1

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© The Author(s) 2022

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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Molecular dynamics simulations trajectory analysis of hDHODH & silibinin, hDHODH & silychristin B, hDHODH & 27-O-β-D-glucopyranosyl viscosalactone B, and hDHODH & brequinar complexes for 100 ns. (A) The root mean square deviation (RMSD), (B) The root mean square fluctuation (RMSF) of protein–ligand complexes, and (C) Hydrogen bond number between protein and ligands during the molecular dynamics simulation.