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Prediction of kinase inhibitors binding modes with machine learning and reduced descriptor sets

Protein kinases are receiving wide research interest, from drug perspective, due to their important roles in human body. Available kinase-inhibitor data, including crystallized structures, revealed many details about the mechanism of inhibition and binding modes. The understanding and analysis of th...

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Detalles Bibliográficos
Autores principales: Abdelbaky, Ibrahim, Tayara, Hilal, Chong, Kil To
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7804204/
https://www.ncbi.nlm.nih.gov/pubmed/33436888
http://dx.doi.org/10.1038/s41598-020-80758-4