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

Abstract 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 analy...

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Autores principales: Ibrahim Abdelbaky, Hilal Tayara, Kil To Chong
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/f0877084a5104e888bb76bd9c90bee5b
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