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| sim. type (#) | solute (component 2) | HPβCD conc. (mol/L) (component 3) | box size (nm) | T (K) | duration (ns) |
|---|---|---|---|---|---|
| 1 | 0.061–0.123–0.186 | 8 × 8 × 8 | 298 | 60 | |
| 2 | capped amino acids | 0.050 | 8 × 8 × 8 | 300 | 60 |
| 3 | NAGxA | 0.050 | 8 × 8 × 8 | 300 | 100 |
