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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...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society
2012
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Materias: | |
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 |