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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Detalhes bibliográficos
Main Authors: Ballester, Pedro J., Mangold, Martina, Howard, Nigel I., Robinson, Richard L. Marchese, Abell, Chris, Blumberger, Jochen, Mitchell, John B. O.
Formato: Artigo
Idioma:Inglês
Publicado em: The Royal Society 2012
Assuntos:
Research Articles
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3481598/
https://ncbi.nlm.nih.gov/pubmed/22933186
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsif.2012.0569
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