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. 2019 Jan 31;15(3):2087–2100. doi: 10.1021/acs.jctc.8b01033

Figure 2.

Figure 2

Radial distribution function (RDF) for coarse-grained single-site water around lipid HG (i.e., headgroup) sites. The dashed line indicates the radial distance cutoff that is used to construct the virtual SL sites. The inset shows a representative snapshot of water coordinating between two lipid phosphate groups through hydrogen bonding interactions, which corresponds to the first peak of the RDF.