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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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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Abdelbaky, Ibrahim, Tayara, Hilal, Chong, Kil To
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2021
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7804204/
https://ncbi.nlm.nih.gov/pubmed/33436888
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-020-80758-4
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