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Prospective virtual screening with Ultrafast Shape Recognition: the identification of novel inhibitors of arylamine N-acetyltransferases

There is currently a shortage of chemical molecules that can be used as bioactive probes to study molecular targets and potentially as starting points for drug discovery. One inexpensive way to address this problem is to use computational methods to screen a comprehensive database of small molecules...

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Autors principals: Ballester, Pedro J., Westwood, Isaac, Laurieri, Nicola, Sim, Edith, Richards, W. Graham
Format: Artigo
Idioma:Inglês
Publicat: The Royal Society 2010
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC2842611/
https://ncbi.nlm.nih.gov/pubmed/19586957
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsif.2009.0170
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