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Computational Macrocyclization: From de novo Macrocycle Generation to Binding Affinity Estimation
Macrocycles play an increasing role in drug discovery, but their synthesis is often demanding. Computational tools that suggest macrocyclization based on a known binding mode and that estimate the binding affinity of these macrocycles could have a substantial impact on the medicinal chemistry design...
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| Publicado en: | ChemMedChem |
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| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
John Wiley and Sons Inc.
2017
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5725703/ https://ncbi.nlm.nih.gov/pubmed/28977738 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/cmdc.201700478 |
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