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Conformational Properties of α- or β-(1→6)-Linked Oligosaccharides: Hamiltonian Replica Exchange MD Simulations and NMR Experiments
[Image: see text] Conformational sampling for a set of 10 α- or β-(1→6)-linked oligosaccharides has been studied using explicit solvent Hamiltonian replica exchange (HREX) simulations and NMR spectroscopy techniques. Validation of the force field and simulation methodology is done by comparing calcu...
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| Hauptverfasser: | , , , , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
American Chemical
Society
2014
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| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3979472/ https://ncbi.nlm.nih.gov/pubmed/24552401 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp412051v |
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