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. 2021 Apr 13;11(23):13780–13798. doi: 10.1039/d1ra01003d

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