Polymer charge distance for every second carboxyl or amino group along the polysaccharide chain. Comparison of previously determined charge distances through crystal structure analysis versus calculated distances for the MD simulations.38–40.
| Polymer | Crystal (Å) | MD simulations in water (Å) |
|---|---|---|
| Chitosan | 10.4 | 10.6–11.1 |
| Poly-M | 10.4 | 10.6 |
| Poly-MG | — | 9.8 |
| Poly-G | 8.7 | 9.2–9.3 |