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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...
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| Publicado no: | Chem Biol Drug Des |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
John Wiley and Sons Inc.
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5836963/ https://ncbi.nlm.nih.gov/pubmed/29063731 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1111/cbdd.13129 |
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