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. Author manuscript; available in PMC: 2021 Jun 1.
Published in final edited form as: Mol Pharm. 2020 May 19;17(6):2155–2164. doi: 10.1021/acs.molpharmaceut.0c00299

Fig. 4. The molecular interactions of the neutral and charged species of RvD1 and RvD2 with the various functional groups of the DMPC lipids.

Fig. 4.

A) A schematic 2D representation of DMPC is shown with its polar head groups choline, phosphate, and glyceryl carbonyls, and nonpolar alkyl tails shaded in blue, green, orange, and gray colors, respectively. B and C) The number of atom contacts of the neutral and charged species of RvD1 and RvD2 with the various functional groups of the DMPC lipids (neutral and charged species are depicted in dark and light colors, respectively). D) The percentage (%) occupancy gives the fraction of simulation time (as a fraction of snapshots) during which the atom contacts were observed between the lipid groups and carboxyl and hydroxyl groups of the solutes. The functional groups were considered in contact if the distance between them was less than or equal to 4 Å.