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. 2020 Apr 16;16(8):1989–1996. doi: 10.1080/21645515.2019.1710409

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© 2020 The Author(s). Published with license by Taylor & Francis Group, LLC.

This is an Open Access article distributed under the terms of the Creative Commons Attribution-NonCommercial-NoDerivatives License (http://creativecommons.org/licenses/by-nc-nd/4.0/), which permits non-commercial re-use, distribution, and reproduction in any medium, provided the original work is properly cited, and is not altered, transformed, or built upon in any way.

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Figure 3. — Predicted docked conformations of BBIQ (a), resiquimod (b) and imiquimod (c) to the ligand-binding site of human TLR7, showing predicted hydrogen bonds in green. Figure 3(b) shows a comparison of the predicted and crystal confirmed conformation of resiquimod in the hTLR7 binding pocket with a goodness of fit shown by the Root-mean-square-deviation (RMSD) value of 0.93 Å. Figure 3(d) shows the comparison of the predicted binding poses of BBIQ (in green), resiquimod (in pink) and imiquimod (in blue) in the hTLR7 binding pocket.