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. 2020 Jun 3;14:137. doi: 10.3389/fncel.2020.00137

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Copyright © 2020 Diallo, Shahbaaz, Torto, Christoffels, Masiga and Getahun.

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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Time-lapse curves highlighting the changes observed in the number of hydrogen bonds between the receptors and the studied ligands during the course of 100-ns MD simulations.