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The details of simulation systems in our DMD simulations, including the number of αBC monomer (αBCM), αBC dimer (αBCD) and Aβ monomer molecules; the corresponding dimension of the cubic simulation box; the total number of independent DMD trajectories performed; the simulation time of each DMD trajectory.
| System | Box size (nm) | DMD Run | Simulation time (ns) | |
|---|---|---|---|---|
| Molecules | Number | |||
| Aβ | 1 | 6.0 | 50 | 500 |
| 2 | 9.0 | 50 | 500 | |
| αBCM :Aβ | 1:1 | 9.0 | 50 | 500 |
| αBCD :Aβ | 1:1 | 9.0 | 50 | 500 |
| αBCD :Aβ | 1:2 | 9.0 | 40 | 400 |
