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. 2021 Feb 9;16(2):e0246187. doi: 10.1371/journal.pone.0246187

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© 2021 Jin et al

This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

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Fig 6 — (A) ΔG_par and ΔG_trans for four categories of QSMs. (B) ΔG_par for N-acyl homoserine thiolactones (AHTs) and AHLs. The hollow and filled markers represent AHLs with and without the oxo additional group in the head moiety, respectively. (C) ΔG_trans for AHT and AHLs. (D) ΔG_par and ΔG_trans for 3-oxo-C12 derivatives. (E) ΔG_par and ΔG_trans for miscellaneous QSMs. Error bars in all parts represent the standard error from three independent calculations using different input conformations to COSMOmic.