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Summary of GaMD simulations performed on the Numb RNA (apo), MSI1 protein without RNA Numb (apo) and with RNA Numb started from the Bound and Unbound states.
| System | Natoms | Length(ns) | Boost potential ( kcal/mol) |
|---|---|---|---|
| Numb RNA (apo) | 14,616 | 500 × 3 | 9.84 ± 3.02 |
| MSI1 protein (apo) | 28,742 | 500 × 3 | 12.28 ± 3.54 |
| MSI1-Numb (Bound) | 29,368 | 500 × 3 | 14.08 ± 3.79 |
| MSI1-Numb (Unbound) | 29,569 | 1,200 × 19 | 11.49 ± 3.36 |
