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Hierarchical virtual screening for the discovery of new molecular scaffolds in antibacterial hit identification

One of the initial steps of modern drug discovery is the identification of small organic molecules able to inhibit a target macromolecule of therapeutic interest. A small proportion of these hits are further developed into lead compounds, which in turn may ultimately lead to a marketed drug. A commo...

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Detalles Bibliográficos
Autores principales:	Ballester, Pedro J., Mangold, Martina, Howard, Nigel I., Robinson, Richard L. Marchese, Abell, Chris, Blumberger, Jochen, Mitchell, John B. O.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society 2012
Materias:	Research Articles
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3481598/ https://www.ncbi.nlm.nih.gov/pubmed/22933186 http://dx.doi.org/10.1098/rsif.2012.0569

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