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. 2021 Mar 9;12:626642. doi: 10.3389/fgene.2021.626642

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Copyright © 2021 Biswas, Kumar, Mallick, Das, Kamal, Bose, Choudhury and Chakrabarti.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Molecular dynamics (MD) simulation of wild-type and mutant non-structural protein (NSP) complex with human interactor proteins. (A) Root mean square deviation (RMSD) plot, (B) root mean square fluctuation (RMSF) plot, and (C) energy plot for complex of NSP2 with EIF4E2. (D) RMSD plot, (E) RMSF plot, and (F) energy plot for complex of NSP12 with peptidyl-prolyl isomerase like-3 (PPIL3). The mutant site is marked by arrows in (B,E).