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Determination of Accurate Backbone Chemical Shift Tensors in Microcrystalline Proteins by Integrating MAS NMR and QM/MM
Chemical shifts are highly sensitive probes of local conformation and overall structure. Both isotropic shifts and chemical shift tensors are readily accessible from NMR experiments but their quantum mechanical calculations remain challenging. In this work, we report and compare accurately measured...
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| Опубликовано в: : | Phys Chem Chem Phys |
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| Главные авторы: | , , , , , , , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
2018
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5892194/ https://ncbi.nlm.nih.gov/pubmed/29577158 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c8cp00647d |
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