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Density functional calculations of chemical shielding of backbone (15)N in helical residues of protein G
We performed density functional calculations of backbone (15)N chemical shielding tensors in selected helical residues of protein G. Here we describe a computationally efficient methodology to include most of the important effects in the calculation of chemical shieldings of backbone (15)N. We analy...
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| Autores principales: | , , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2009
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2884268/ https://ncbi.nlm.nih.gov/pubmed/19644655 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10858-009-9358-3 |
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