Improved compound–protein interaction site and binding affinity prediction using self-supervised protein embeddings

BACKGROUND: Compound–protein interaction site and binding affinity predictions are crucial for drug discovery and drug design. In recent years, many deep learning-based methods have been proposed for predications related to compound–protein interaction. For protein inputs, how to make use of protein...

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Detalles Bibliográficos
Autores principales: Wu, Jialin, Liu, Zhe, Yang, Xiaofeng, Lin, Zhanglin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2022
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9756525/
https://www.ncbi.nlm.nih.gov/pubmed/36526969
http://dx.doi.org/10.1186/s12859-022-05107-w

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