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Toward a Computational NMR Procedure for Modeling Dipeptide Side-Chain Conformation
[Image: see text] Theoretical relationships between the vicinal spin–spin coupling constants (SSCCs) and the χ(1) torsion angles have been studied to predict the conformations of protein side chains. An efficient computational procedure is developed to obtain the conformation of dipeptides through t...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8715507/ https://www.ncbi.nlm.nih.gov/pubmed/34762416 http://dx.doi.org/10.1021/acs.jcim.1c00773 |