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Conformational population of H-N-C2-H2 dihedrals from simulation trajectories of unsulfated chondroitin NMR structure, using additive and Drude polarizable force fields.
| Ring | Additive (% population) | Drude (% population) | ||
|---|---|---|---|---|
| cis | trans | cis | trans | |
| N1 | 90.38 | 9.49 | 22.75 | 75.35 |
| N3 | 0.02 | 99.03 | 24.72 | 73.70 |
| N5 | 93.74 | 6.20 | 39.15 | 59.84 |
