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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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Detalhes bibliográficos
Publicado no:J Chem Inf Model
Principais autores: Loeffler, Johannes R., Schauperl, Michael, Liedl, Klaus R.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2019
Acesso em linha: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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