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Hydration of Aromatic Heterocycles as an Adversary of π-Stacking

[Image: see text] Hydration is one of the key players in the protein–ligand binding process. It not only influences the binding process per se, but also the drug’s absorption, distribution, metabolism, and excretion properties. To gain insights into the hydration of aromatic cores, the solvation the...

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Библиографические подробности
Опубликовано в: :J Chem Inf Model
Главные авторы: Loeffler, Johannes R., Schauperl, Michael, Liedl, Klaus R.
Формат: Artigo
Язык:Inglês
Опубликовано: American Chemical Society 2019
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC7032848/
https://ncbi.nlm.nih.gov/pubmed/31566975
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.9b00395
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