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Interpreting Protein Structural dynamics From NMR Chemical Shifts
In this investigation, semi-empirical NMR chemical shift prediction methods are used to evaluate the dynamically averaged values of backbone chemical shifts obtained from unbiased molecular dynamics (MD) simulations of proteins. MD-averaged chemical shift predictions generally improve agreement with...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3324661/ https://ncbi.nlm.nih.gov/pubmed/22381384 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja300265w |
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