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molBLOCKS: decomposing small molecule sets and uncovering enriched fragments

Summary: The chemical structures of biomolecules, whether naturally occurring or synthetic, are composed of functionally important building blocks. Given a set of small molecules—for example, those known to bind a particular protein—computationally decomposing them into chemically meaningful fragmen...

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Detalles Bibliográficos
Autores principales: Ghersi, Dario, Singh, Mona
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4080744/
https://www.ncbi.nlm.nih.gov/pubmed/24681908
http://dx.doi.org/10.1093/bioinformatics/btu173