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Exhaustive sampling of the fragment space associated to a molecule leading to the generation of conserved fragments
The first step in hit optimization is the identification of the pharmacophore, which is normally achieved by deconstruction of the hit molecule to generate “deletion analogues.” In silico fragmentation approaches often focus on the generation of small fragments that do not describe properly the frag...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5836963/ https://www.ncbi.nlm.nih.gov/pubmed/29063731 http://dx.doi.org/10.1111/cbdd.13129 |