Table 2. Overview of PRIMO-REMD Simulations of Helical Peptides.
| system | sequence | time (ns) | replicas | temp. range (K) | time for analysis (ns) |
|---|---|---|---|---|---|
| WALP23 | GWW(LA)8LWWA | 50 | 8 | 300–400 | 20–50 |
| WALP19 | GWW(LA)6LWWA | 50 | 8 | 300–400 | 20–50 |
| GWALP23 | GGALW(LA)6LWLAGA | 50 | 8 | 300–400 | 20–50 |
| KWALP23 | GKALW(LA)6LWLAKA | 50 | 8 | 300–400 | 20–50 |
| AChR M2 | GSEKMSTAISVLLAQAVFLLLTSQR | 50 | 8 | 300–400 | 20–50 |
| NMDA M2 | GSNGDALTLSAMWFSWGVLLNSGIGE | 50 | 8 | 300–400 | 20–50 |
| IFP | GLFGAIAGFIENGWEGMIDG | 100 | 8 | 300–500 | 20–100 |
| GpA | EITLIIFGVMAGVIGTILLISYGIR | 400 | 12 | 270–500 | 200–400 |