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In the System building of the Methods section, there is an error in the last sentence of the second paragraph:
In the paragraph "GAFF2" should be replaced by "Lipid17 [49] and GLYCAM06j [Kirschner 2008] force fields" and one new reference should be added.
The corrected text should read:
"Bonded and non-bonded parameters for lipids were determined using Lipid17 [49] and GLYCAM06j [Kirschner2008] force fields with the partial atomic charges calculated according to the RESP procedure [45] using Gaussian 09 [46] and antechamber (AmberTools17)."
The added reference should read:
Kirschner KN, Yongye AB, Tschampel SM, González-Outeiriño J, Daniels CR, Foley BL, et al. GLYCAM06: A generalizable biomolecular force field. Carbohydrates. J Comput Chem. 2008;29(40):622-55. pmid:17849372
1. Pieńko T, Trylska J (2020) Extracellular loops of BtuB facilitate transport of vitamin B12 through the outer membrane of E. coli. PLoS Comput Biol 16(7): e1008024. https://doi.org/10.1371/journal.pcbi.1008024 pmid:32609716Citation: Pieńko T, Trylska J (2021) Correction: Extracellular loops of BtuB facilitate transport of vitamin B12 through the outer membrane of E. coli. PLoS Comput Biol 17(12): e1009696. https://doi.org/10.1371/journal.pcbi.1009696
Published: December 20, 2021
Copyright: © 2021 Pieńko, Trylska. 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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