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. 2022 Sep 9;15(9):1129. doi: 10.3390/ph15091129

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© 2022 by the author.

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 (https://creativecommons.org/licenses/by/4.0/).

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Fludarabine RMSD, rGyr, intramolecular H-bond (intraHB), molecular surface area (MolSA), solvent-accessible surface area (SASA), polar surface area (PSA) calculated during the MD simulation (100 ns). (A). A6R, (B). D8L, (C). F13L.

Fludarabine RMSD, rGyr, intramolecular H-bond (intraHB), molecular surface area (MolSA), solvent-accessible surface area (SASA), polar surface area (PSA) calculated during the MD simulation (100 ns). (A). A6R, (B). D8L, (C). F13L.