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...

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Detalles Bibliográficos
Autores principales: Gohlke, Bjoern-Oliver, Overkamp, Tim, Richter, Anja, Richter, Antje, Daniel, Peter T., Gillissen, Bernd, Preissner, Robert
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2015
Materias:
Research Article
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

Internet

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

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