Figure 7.

Coarse-grained DPPC interactions. (a) Comparison between seven-site (DPPC-7V) and six-site (DPPC-6) pair potentials for a representative subset of all nonbonded interactions. Models generated using multiscale coarse-graining (MS-CG) and relative entropy minimization (REM) are also denoted by solid and dashed lines, respectively, yielding a total of four different models. Similar to the DOPC-7V case, note the emergence of the SL-MG attraction, which appears to mediate MG-MG attraction for lipid aggregation. (b) Bond and angle potentials were computed using MS-CG in the DPPC-7V case (solid) and DPPC-6 case (diamond symbols). For simplicity, the DPPC-6 bonded potentials were used for the two REM models.