AiKPro: deep learning model for kinome-wide bioactivity profiling using structure-based sequence alignments and molecular 3D conformer ensemble descriptors

The discovery of selective and potent kinase inhibitors is crucial for the treatment of various diseases, but the process is challenging due to the high structural similarity among kinases. Efficient kinome-wide bioactivity profiling is essential for understanding kinase function and identifying sel...

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Detalles Bibliográficos
Autores principales: Park, Hyejin, Hong, Sujeong, Lee, Myeonghun, Kang, Sungil, Brahma, Rahul, Cho, Kwang-Hwi, Shin, Jae-Min
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10290719/
https://www.ncbi.nlm.nih.gov/pubmed/37355672
http://dx.doi.org/10.1038/s41598-023-37456-8

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10290719/
https://www.ncbi.nlm.nih.gov/pubmed/37355672
http://dx.doi.org/10.1038/s41598-023-37456-8

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