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. 2021 Jan 20;4:93. doi: 10.1038/s42003-020-01577-x

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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 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. 7 — MD simulation studies were carried as described under Methods section. Interaction of micafungin (a), and ivermectin (b) with monomeric form of 3 CLpro enzyme. c Interaction of ivermectin with active site of 3CLpro homodimer. Panel I–III represents the interaction of ligand at different time points in nano second (ns). Panel-IV represents the ligand-binding fingerprint of micafungin and ivermectin with specific amino acids of 3CLpro enzymes.