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. Author manuscript; available in PMC: 2021 Mar 10.
Published in final edited form as: J Chem Theory Comput. 2020 Feb 26;16(3):1806–1815. doi: 10.1021/acs.jctc.9b00868

Figure 5.

Figure 5.

Effect of lipid A phosphate charge on LPS area (top), per-leaflet hydrophobic thickness (middle), and inter-lipid A hydrogen bonding (bottom). Data are shown from the simulations with Ca2+.