New machine learning and physics-based scoring functions for drug discovery

Scoring functions are essential for modern in silico drug discovery. However, the accurate prediction of binding affinity by scoring functions remains a challenging task. The performance of scoring functions is very heterogeneous across different target classes. Scoring functions based on precise ph...

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Detalles Bibliográficos
Autores principales: Guedes, Isabella A., Barreto, André M. S., Marinho, Diogo, Krempser, Eduardo, Kuenemann, Mélaine A., Sperandio, Olivier, Dardenne, Laurent E., Miteva, Maria A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7862620/
https://www.ncbi.nlm.nih.gov/pubmed/33542326
http://dx.doi.org/10.1038/s41598-021-82410-1

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7862620/
https://www.ncbi.nlm.nih.gov/pubmed/33542326
http://dx.doi.org/10.1038/s41598-021-82410-1

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