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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/).
Evaluation of RMSD plots during MD simulations. The KasA protein backbone has been represented in black, while the ligands graphs have been represented in different colors. (a) RMSDs of the KasA- ZINC35465970 system and (b) RMSDs of the KasA-ZINC31170017 system.