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Dissipative particle dynamics model of homogalacturonan based on molecular dynamics simulations
In this study we present an alternative dissipative particle dynamics (DPD) parametrization strategy based on data extracted from the united-atom molecular simulations. The model of the homogalacturonan was designed to test the ability of the formation of large-scale structures via hydrogen bonding...
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| I publikationen: | Sci Rep |
|---|---|
| Huvudupphovsmän: | , , |
| Materialtyp: | Artigo |
| Språk: | Inglês |
| Publicerad: |
Nature Publishing Group UK
2020
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| Ämnen: | |
| Länkar: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7477560/ https://ncbi.nlm.nih.gov/pubmed/32895471 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-020-71820-2 |
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