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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Enregistré dans:
Détails bibliographiques
Publié dans:Angew Chem Int Ed Engl
Auteurs principaux: 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.
Format: Artigo
Langue:Inglês
Publié: John Wiley and Sons Inc. 2020
Sujets:
Research Articles
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC7496118/
https://ncbi.nlm.nih.gov/pubmed/32485046
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/anie.202005739
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