Thermal Response in Cellulose Iβ Based on Molecular Dynamics
The structural details of cellulose I β were discussed according to molecular dynamics simulations with the GLYCAM-06 force field. The simulation outcomes were in agreement with previous experimental data, including structural parameters and hydrogen bond pattern at 298 K. We found a new conformatio...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
De Gruyter
2019-12-01
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| Series: | Computational and Mathematical Biophysics |
| Subjects: | |
| Online Access: | https://doi.org/10.1515/cmb-2019-0007 |