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. 2020 Oct 20:bbaa260. doi: 10.1093/bib/bbaa260

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© The Author(s) 2020. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com

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Detailed interactions and top 10 residue energy contributions of 3CL^Pro-SID-24808289 (PDB: 4MDS, SARS-CoV). (A) The detailed interactions between 3CL^Pro in SARS-CoV and SID-24808289. The binding pocket in 3CL^Pro is highlighted in purple surface on the left side. Top 10 residues with higher energy contributions are highlighted in stick on the right side. (B) The energy contribution of top 10 key residues involved in the binding pockets of 3CL^Pro.