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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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BioMed Central
2012
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| 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 |