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Evaluating the Predictivity of Virtual Screening for Abl Kinase Inhibitors to Hinder Drug Resistance

Virtual screening methods are now widely used in early stages of drug discovery, aiming to rank potential inhibitors. However, any practical ligand set (of active or inactive compounds) chosen for deriving new virtual screening approaches cannot fully represent all relevant chemical space for potent...

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Detalles Bibliográficos
Autores principales: Gani, Osman A B S M, Narayanan, Dilip, Engh, Richard A
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BlackWell Publishing Ltd 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4265857/
https://www.ncbi.nlm.nih.gov/pubmed/23746052
http://dx.doi.org/10.1111/cbdd.12170