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Decomposing compounds enables reconstruction of interaction fingerprints for structure-based drug screening
BACKGROUND: Structure-based drug repositioning has emerged as a promising alternative to conventional drug development. Regardless of the many success stories reported over the past years and the novel breakthroughs on the AI-based system AlphaFold for structure prediction, the availability of struc...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8922937/ https://www.ncbi.nlm.nih.gov/pubmed/35292113 http://dx.doi.org/10.1186/s13321-022-00592-w |