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...

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Detalles Bibliográficos
Autores principales: Adasme, Melissa F., Bolz, Sarah Naomi, Al-Fatlawi, Ali, Schroeder, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Research Article
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

Internet

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

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