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. 2022 Jul 22;10:975191. doi: 10.3389/fchem.2022.975191

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Copyright © 2022 Mohamed, Eltigani, Abdallah, Ghaboosh, Bin Jardan, Yusuf, Elsaman, Mohamed and Alzain.

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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The ligand RMSF plot of the top three compounds complexed with MNK-2 (ID: 2hw7) during 100 ns molecular dynamics simulation using Desmond software. (A) compound 1, (B) compound 2, and (C) compound 3.