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A Cascade Graph Convolutional Network for Predicting Protein–Ligand Binding Affinity

Accurate prediction of binding affinity between protein and ligand is a very important step in the field of drug discovery. Although there are many methods based on different assumptions and rules do exist, prediction performance of protein–ligand binding affinity is not satisfactory so far. This pa...

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Detalles Bibliográficos
Autores principales: Shen, Huimin, Zhang, Youzhi, Zheng, Chunhou, Wang, Bing, Chen, Peng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8070477/
https://www.ncbi.nlm.nih.gov/pubmed/33919681
http://dx.doi.org/10.3390/ijms22084023