A Quantum Chemical Deep-Dive into the π-π Interactions of 3-Methylindole and Its Halogenated Derivatives—Towards an Improved Ligand Design and Tryptophan Stacking

Non-covalent π-π stacking interactions often play a key role in the stability of the secondary and tertiary structures of peptides and proteins, respectively, and can be a means of ensuring the binding of ligands within protein and enzyme binding sites. It is generally accepted that minor structural...

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Detalles Bibliográficos
Autores principales: Van Lommel, Ruben, Bettens, Tom, Barlow, Thomas M. A., Bertouille, Jolien, Ballet, Steven, De Proft, Frank
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9414876/
https://www.ncbi.nlm.nih.gov/pubmed/36015083
http://dx.doi.org/10.3390/ph15080935

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9414876/
https://www.ncbi.nlm.nih.gov/pubmed/36015083
http://dx.doi.org/10.3390/ph15080935

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