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Reconciling Electrostatic and n→π* Orbital Contributions in Carbonyl Interactions

Interactions between carbonyl groups are prevalent in protein structures. Earlier investigations identified dominant electrostatic dipolar interactions, while others implicated lone pair n→π* orbital delocalisation. Here these observations are reconciled. A combined experimental and computational ap...

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Detalles Bibliográficos
Autores principales:	Muchowska, Kamila B., Pascoe, Dominic J., Borsley, Stefan, Smolyar, Ivan V., Mati, Ioulia K., Adam, Catherine, Nichol, Gary S., Ling, Kenneth B., Cockroft, Scott L.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2020
Materias:	Research Articles
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7496118/ https://www.ncbi.nlm.nih.gov/pubmed/32485046 http://dx.doi.org/10.1002/anie.202005739

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