Figure 1.

Molecular structures of PmB (A), POPE (B), and Re LPS (C) and their corresponding CG mappings. For PmB, the CG charged beads are in magenta; the hydrophobic beads of the fatty acid tail, Phe and Leu are in black, blue, and green, respectively. For POPE, the CG hydrophilic head beads are in red; the hydrophobic tail beads are in yellow. For Re LPS, the hydrophilic head beads are in cyan, and the hydrophobic tail beads are in pink. In (B) and (C), PO₄⁻ is the phosphate bead, GL is the glycerol bead, and GL1 is the nearest GL bead to PO₄⁻. To see this figure in color, go online.