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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 7.

Figure 7.

Effect of NBFIX/CUFIX cation inclusion on LPS area (top), per-leaflet hydrophobic thickness (middle), and inter-lipid A hydrogen bonding (bottom). Systems with −PO4 are shown on the left, while systems with −PO42− are on the right.