Protein-ligand binding affinity prediction model based on graph attention network

Estimating the binding affinity between proteins and drugs is very important in the application of structure-based drug design. Currently, applying machine learning to build the protein-ligand binding affinity prediction model, which is helpful to improve the performance of classical scoring functio...

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Autores principales: Hong Yuan, Jing Huang, Jin Li
Formato: article
Lenguaje:EN
Publicado: AIMS Press 2021
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Acceso en línea:https://doaj.org/article/2810ec3d161f44c3a8bbf0616fa97335
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