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Break Down in Order To Build Up: Decomposing Small Molecules for Fragment-Based Drug Design with eMolFrag
[Image: see text] Constructing high-quality libraries of molecular building blocks is essential for successful fragment-based drug discovery. In this communication, we describe eMolFrag, a new open-source software to decompose organic compounds into nonredundant fragments retaining molecular connect...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5433162/ https://www.ncbi.nlm.nih.gov/pubmed/28346786 http://dx.doi.org/10.1021/acs.jcim.6b00596 |