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Summary of the simulations together with numbers of atoms and rmsd values (Å)
| Environment
|
|||||
|---|---|---|---|---|---|
| Simulations | Timescale | DNA (backbone) | Waters | Rmsd, Å (all) | Rmsd, Å (backbone) |
| 45-mer | 15 ns | 1463 (269) | 22,889 | 3.80 | 2.93 |
| 45-mer(empty binding site) | 15 ns | 1463 (269) | 21,764 | 12.66 | 11.27 |
| 45-mer(+ BSU6039) | 15 ns | 1463 (269)(+70) | 22,961 | 3.68 | 2.90 |
| 93-mer | 15 ns | 3023 (557) | 36,692 | 3.52 | 2.72 |
