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. 2020 Mar 10;25(5):1245. doi: 10.3390/molecules25051245

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© 2020 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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RMSD plot along the path of MD simulations. The protein backbone plot is colored black, but the ligand plots are colored in different ways. (A) RMSDs of the A_2AAR-UK- 432097 system, (B) RMSDs of the A_2AAR-Regadenoson system, (C) RMSDs of the A_2AAR-ZINC00000416 system, (D) RMSDs of the A_2AAR-Ligand 10002403 system, (E) RMSDs of the A_2AAR-Ligand 5193875 system, (F) RMSDs of the A_2AAR-Ligand 6942649 system, (G) RMSDs of the A_2AAR-Ligand 7928320 system and (H) RMSDs of the A_2AAR-ZINC4257548 system.