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Large-Scale Virtual Screening Against the MET Kinase Domain Identifies a New Putative Inhibitor Type

By using an ensemble-docking strategy, we undertook a large-scale virtual screening campaign in order to identify new putative hits against the MET kinase target. Following a large molecular dynamics sampling of its conformational space, a set of 45 conformers of the kinase was retained as docking t...

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Detalles Bibliográficos
Autores principales:	Bresso, Emmanuel, Furlan, Alessandro, Noel, Philippe, Leroux, Vincent, Maina, Flavio, Dono, Rosanna, Maigret, Bernard
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7070486/ https://www.ncbi.nlm.nih.gov/pubmed/32093126 http://dx.doi.org/10.3390/molecules25040938

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