Description of atomistic simulations performed of ζ-ζ dimer
| System | Protonation/mutation state | Total atoms | Simulation time |
|---|---|---|---|
| Mouse S1, S2, S3 | AspH-Asp, I46, Y50, A53 | 31,633/31,669/31,711 | 3× 1 μs |
| Human S1, S2, S3 | AspH-Asp, L46, F50, V53 | 31,632/31,733/31,724 | 3× 1 μs |
| System | Protonation/mutation state | Total atoms | Simulation time |
|---|---|---|---|
| Mouse S1, S2, S3 | AspH-Asp, I46, Y50, A53 | 31,633/31,669/31,711 | 3× 1 μs |
| Human S1, S2, S3 | AspH-Asp, L46, F50, V53 | 31,632/31,733/31,724 | 3× 1 μs |
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