Halogen Bonds in Ligand–Protein Systems: Molecular Orbital Theory for Drug Design

[Image: see text] Halogen bonds are highly important in medicinal chemistry as halogenation of drugs, generally, improves both selectivity and efficacy toward protein active sites. However, accurate modeling of halogen bond interactions remains a challenge, since a thorough theoretical investigation...

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Detalles Bibliográficos
Autores principales: Margiotta, Enrico, van der Lubbe, Stephanie C. C., de Azevedo Santos, Lucas, Paragi, Gabor, Moro, Stefano, Bickelhaupt, F. Matthias, Fonseca Guerra, Célia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7093837/
https://www.ncbi.nlm.nih.gov/pubmed/32003997
http://dx.doi.org/10.1021/acs.jcim.9b00946

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7093837/
https://www.ncbi.nlm.nih.gov/pubmed/32003997
http://dx.doi.org/10.1021/acs.jcim.9b00946

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