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Ligand deconstruction: Why some fragment binding positions are conserved and others are not
Fragment-based drug discovery (FBDD) relies on the premise that the fragment binding mode will be conserved on subsequent expansion to a larger ligand. However, no general condition has been established to explain when fragment binding modes will be conserved. We show that a remarkably simple condit...
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| Publicat a: | Proc Natl Acad Sci U S A |
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| Autors principals: | , , , , , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
National Academy of Sciences
2015
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4443342/ https://ncbi.nlm.nih.gov/pubmed/25918377 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1501567112 |
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