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. 2019 May 29;9:8000. doi: 10.1038/s41598-019-44318-9

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© The Author(s) 2019

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 license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license 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 license, visit http://creativecommons.org/licenses/by/4.0/.

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Representative snapshots for GalCer-rich membrane. (a) Equilibrium and (b) interdigitation (at 70 mN/m surface tension) states at 0.6 μs of atomistic simulation. The lipid molecules in upper and lower leaflets are shown in blue and red colors, respectively. (c) Close-up of a pore from CG-GalCer-rich (42 nm) at 0.15 μs of simulation. POPC/POPE molecules are shown as green, CHOL as black, and GalCer as magenta with VDW representations. The water and ion molecules are removed for clarity.