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Quantum chemical (13)C(α) chemical shift calculations for protein NMR structure determination, refinement, and validation
A recently determined set of 20 NMR-derived conformations of a 48-residue all-α-helical protein, (PDB ID code 2JVD), is validated here by comparing the observed (13)C(α) chemical shifts with those computed at the density functional level of theory. In addition, a recently introduced physics-based me...
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| Hlavní autoři: | , , , , , , , , , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
National Academy of Sciences
2008
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2567219/ https://ncbi.nlm.nih.gov/pubmed/18787110 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0807105105 |
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