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...

Полное описание

Сохранить в:
Библиографические подробности
Опубликовано в: :J Chem Inf Model
Главные авторы: Margiotta, Enrico, van der Lubbe, Stephanie C. C., de Azevedo Santos, Lucas, Paragi, Gabor, Moro, Stefano, Bickelhaupt, F. Matthias, Fonseca Guerra, Célia
Формат: Artigo
Язык:Inglês
Опубликовано: American Chemical Society 2020
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC7093837/
https://ncbi.nlm.nih.gov/pubmed/32003997
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.9b00946
Метки: Добавить метку
Нет меток, Требуется 1-ая метка записи!

Схожие документы