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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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Detalhes bibliográficos
Main Authors: Ballester, Pedro J., Westwood, Isaac, Laurieri, Nicola, Sim, Edith, Richards, W. Graham
Formato: Artigo
Idioma:Inglês
Publicado em: The Royal Society 2010
Assuntos:
Acesso em linha: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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