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. 2022 Apr 30;12:7087. doi: 10.1038/s41598-022-10735-6

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© The Author(s) 2022

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

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The potential of mean force (PMF) curve and corresponding umbrella histograms for complexes of [¹⁹F]oritavancin–PG (left), chloroeremomycin–PG (middle), and vancomycin–PG (right). The ΔG values of the complexes obtained from the PMF curve are shown as an inset. The PMF for the desleucyl-glycopeptide–PG complexes is included in the Supplementary Information.