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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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Pubblicato in:J Chem Inf Model
Autori principali: Loeffler, Johannes R., Schauperl, Michael, Liedl, Klaus R.
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2019
Accesso online: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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