Table 1.
Simulated Systems
| Peptide | Membrane | Lipid Composition | System Setup | Simulation Length |
|---|---|---|---|---|
| PmB | IM model | symmetric bilayer of mixed POPE/POPG lipids | 1352 lipids; 0, 14, 27, 41, 54, 68 PmBs; (P/L: 0, 1, 2, 3, 4, 5%) | 1000 ns; three parallel simulations |
| Mel | IM model | symmetric bilayer of mixed POPE/POPG lipids | 1352 lipids; 0, 14, 27, 41, 54, 68 Mels; (P/L: 0, 1, 2, 3, 4, 5%) | 1000 ns; three parallel simulations |
| Pg1 | IM model | symmetric bilayer of mixed POPE/POPG lipids | 1352 lipids; 0, 14, 27, 41, 54, 68 Pg1s; (P/L: 0, 1, 2, 3, 4, 5%) | 1000 ns; three parallel simulations |
| PmB | OM model | symmetric bilayer of Re LPS | 288 Re LPS; 0, 9, 17, 26, 35, 44 PmBs; (P/L: 0, 1, 2, 3, 4, 5%) | 3000 ns; three parallel simulations |
| PmB | vesicle-planar membrane | one vesicle and one planar bilayer of mixed POPE/POPG lipids | 1352 lipids in vesicle; 3360 lipids in planar bilayer; 0, 1 PmBs | 500 ns; three parallel simulations |