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Discovery of novel SERCA inhibitors by virtual screening of a large compound library

Two screening protocols based on recursive partitioning and computational ligand docking methodologies, respectively, were employed for virtual screens of a compound library with 345,000 entries for novel inhibitors of the enzyme sarco/endoplasmic reticulum calcium ATPase (SERCA), a potential target...

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Detalhes bibliográficos
Main Authors: Elam, Christopher, Lape, Michael, Deye, Joel, Zultowsky, Jodie, Stanton, David T., Paula, Stefan
Formato: Artigo
Idioma:Inglês
Publicado em: 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3065555/
https://ncbi.nlm.nih.gov/pubmed/21353727
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.ejmech.2011.01.069
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