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A Simple and Fast Approach for Predicting (1)H and (13)C Chemical Shifts: Toward Chemical Shift-Guided Simulations of RNA
[Image: see text] We introduce a simple and fast approach for predicting RNA chemical shifts from interatomic distances that performs with an accuracy similar to existing predictors and enables the first chemical shift-restrained simulations of RNA to be carried out. Our analysis demonstrates that t...
Autores principales: | Frank, Aaron T., Law, Sean M., Brooks, Charles L. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical
Society
2014
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4207130/ https://www.ncbi.nlm.nih.gov/pubmed/25255209 http://dx.doi.org/10.1021/jp508342x |
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