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...

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Detalles Bibliográficos
Autores principales: Liu, Tairan, Naderi, Misagh, Alvin, Chris, Mukhopadhyay, Supratik, Brylinski, Michal
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
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

Internet

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

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