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. 2020 Jan 13;11:230. doi: 10.1038/s41467-019-14045-w

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© The Author(s) 2020

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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Fig. 6 — a Top and side views of the computational assay. DOPC and DOPS lipids are shown in green and red, respectively. Calcium, sodium, and chloride are shown as pink, yellow, and blue van der Waals spheres. b Time evolution of the x, y-dimensions of the simulation cell at increasing calcium concentration. Reference assay devoid of calcium (inset). c Order parameter of the DOPC lipids in the reference assay devoid of calcium (lavender) and at high calcium concentration (red), determined as averages over sn-1 and sn-2 chains, in a time frame of 1 µs. Each data represent for mean ± s.d. of the order parameter. d Diffusivity of DOPS lipids measured from their mean-squared displacement over a period of 1 µs. Typical configuration of a calcium ion chelated by DOPS (inset).