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Computational Tool for Fast in silico Evaluation of hERG K(+) Channel Affinity

The development of a novel comprehensive approach for the prediction of hERG activity is herein presented. Software Phase has been used to derive a 3D-QSAR model, employing as alignment rule a common pharmacophore built on a subset of 22 highly active compounds (threshold Ki: 50 nM) against hERG K(+...

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Detalles Bibliográficos
Autores principales:	Chemi, Giulia, Gemma, Sandra, Campiani, Giuseppe, Brogi, Simone, Butini, Stefania, Brindisi, Margherita
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2017
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5408157/ https://www.ncbi.nlm.nih.gov/pubmed/28503546 http://dx.doi.org/10.3389/fchem.2017.00007

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