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Details of each molecular system, including the number of peptides, corresponding dimensions of the cubic simulation box, number of DMD runs, length of each DMD simulation, and accumulative total simulation times.
| Amylin | Peptide numbers | Box size (nm) | DMD runs | Simulation time (ns) | Total duration (μs) |
|---|---|---|---|---|---|
| hIAPP | 1 | 6.5 | 60 | 1000 | 60 |
| 5 | 9.5 | 60 | 1000 | 60 | |
| hIAPP(S20G) | 1 | 6.5 | 60 | 1000 | 60 |
| 5 | 9.5 | 60 | 1000 | 60 | |
| rIAPP | 1 | 6.5 | 60 | 1000 | 60 |
| 5 | 9.5 | 60 | 1000 | 60 |
