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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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Publicat a:Int J Mol Sci
Autors principals: Shen, Huimin, Zhang, Youzhi, Zheng, Chunhou, Wang, Bing, Chen, Peng
Format: Artigo
Idioma:Inglês
Publicat: MDPI 2021
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC8070477/
https://ncbi.nlm.nih.gov/pubmed/33919681
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms22084023
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