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Optimization of an in Silico Protocol Using Probe Permeabilities to Identify Membrane Pan-Assay Interference Compounds

[Image: see text] Membrane pan-assay interference compounds (PAINS) are a class of molecules that interact nonspecifically with lipid bilayers and alter their physicochemical properties. An early identification of these compounds avoids chasing false leads and the needless waste of time and resource...

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Detalles Bibliográficos
Autores principales:	Magalhães, Pedro R., Reis, Pedro B. P. S., Vila-Viçosa, Diogo, Machuqueiro, Miguel, Victor, Bruno L.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9770580/ https://www.ncbi.nlm.nih.gov/pubmed/35697029 http://dx.doi.org/10.1021/acs.jcim.2c00372

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