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2D and 3D similarity landscape analysis identifies PARP as a novel off-target for the drug Vatalanib
BACKGROUND: Searching for two-dimensional (2D) structural similarities is a useful tool to identify new active compounds in drug-discovery programs. However, as 2D similarity measures neglect important structural and functional features, similarity by 2D might be underestimated. In the present study...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4582733/ https://www.ncbi.nlm.nih.gov/pubmed/26403354 http://dx.doi.org/10.1186/s12859-015-0730-x |