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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...

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Detalles Bibliográficos
Autores principales: San Fabián, Jesús, Ema, Ignacio, Omar, Salama, García de la Vega, Jose Manuel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
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

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