Table 1.
Simulated systems and their details. Table S1 gives more details on the system composition.
| Model name |
Description |
Number of atoms |
Effective bulk salt concentration, mM |
Simulation box size, Å |
Simulated time, ns |
|---|---|---|---|---|---|
| FN | Full nucleosome together with linker DNA and full-length histone tails at physiological ionic strength |
366.8K | ~185 | 162×197×113 | 1000 |
| FN1M | Same as FN but in high (1M) salt concentration |
366.8K | ~1100 | 161×196×112 | 300 |
| FNbb | Same as FN, but in sufficiently bigger simulation box |
3.2M | ~160 | 322×358×274 | 50 |
| FNnt | Same as FN but with acetyl and N- methyl groups on N- and C-termini of histones, respectively |
366.8K | ~185 | 162×197×113 | 1000 |
| NCPm | Minimalistic NCP model: no linker DNA, truncated histone tails |
210.3K | ~200 | 145×141×101 | 1000 |