Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitors

[Image: see text] We describe and apply a scaffold-focused virtual screen based upon scaffold trees to the mitotic kinase TTK (MPS1). Using level 1 of the scaffold tree, we perform both 2D and 3D similarity searches between a query scaffold and a level 1 scaffold library derived from a 2 million com...

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Detalles Bibliográficos
Autores principales: Langdon, Sarah R., Westwood, Isaac M., van Montfort, Rob L. M., Brown, Nathan, Blagg, Julian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2013
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3665241/
https://www.ncbi.nlm.nih.gov/pubmed/23672464
http://dx.doi.org/10.1021/ci400100c

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3665241/
https://www.ncbi.nlm.nih.gov/pubmed/23672464
http://dx.doi.org/10.1021/ci400100c

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