USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints

BACKGROUND: Ligand-based virtual screening using molecular shape is an important tool for researchers who wish to find novel chemical scaffolds in compound libraries. The Ultrafast Shape Recognition (USR) algorithm is capable of screening millions of compounds and is therefore suitable for usage in...

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Detalles Bibliográficos
Autores principales: Schreyer, Adrian M, Blundell, Tom
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2012
Materias:
Methodology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3505738/
https://www.ncbi.nlm.nih.gov/pubmed/23131020
http://dx.doi.org/10.1186/1758-2946-4-27

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3505738/
https://www.ncbi.nlm.nih.gov/pubmed/23131020
http://dx.doi.org/10.1186/1758-2946-4-27

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