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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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Detalles Bibliográficos
Publicado en:J Chem Inf Model
Main Authors: Loeffler, Johannes R., Schauperl, Michael, Liedl, Klaus R.
Formato: Artigo
Idioma:Inglês
Publicado: American Chemical Society 2019
Acceso en liña: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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