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. 2021 Jan 15;11:1529. doi: 10.1038/s41598-020-80325-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 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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The superimposition of the experimental PDB and our result for Spike-ACE2 interaction. The superimposed experimental 3D structure of the ACE2-Spike complex (6M17 PDB file) with the simulated complex have been shown in red and yellow, respectively. This figure has been produced by the UCSF Chimera 1.14-linux_x86_64 (https://www.cgl.ucsf.edu/chimera/download.html).