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Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors

The modulation of PPIs by low molecular weight chemical compounds, particularly by orally bioavailable molecules, would be very valuable in numerous disease indications. However, it is known that PPI inhibitors (iPPIs) tend to have properties that are linked to poor Absorption, Distribution, Metabol...

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Publicat a:Sci Rep
Autors principals: Lagorce, David, Douguet, Dominique, Miteva, Maria A., Villoutreix, Bruno O.
Format: Artigo
Idioma:Inglês
Publicat: Nature Publishing Group 2017
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC5387685/
https://ncbi.nlm.nih.gov/pubmed/28397808
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep46277
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