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Decoys Selection in Benchmarking Datasets: Overview and Perspectives

Virtual Screening (VS) is designed to prospectively help identifying potential hits, i.e., compounds capable of interacting with a given target and potentially modulate its activity, out of large compound collections. Among the variety of methodologies, it is crucial to select the protocol that is t...

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Detalles Bibliográficos
Autores principales: Réau, Manon, Langenfeld, Florent, Zagury, Jean-François, Lagarde, Nathalie, Montes, Matthieu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5787549/
https://www.ncbi.nlm.nih.gov/pubmed/29416509
http://dx.doi.org/10.3389/fphar.2018.00011