OnionNet-2: A Convolutional Neural Network Model for Predicting Protein-Ligand Binding Affinity Based on Residue-Atom Contacting Shells

One key task in virtual screening is to accurately predict the binding affinity (△G) of protein-ligand complexes. Recently, deep learning (DL) has significantly increased the predicting accuracy of scoring functions due to the extraordinary ability of DL to extract useful features from raw data. Nev...

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Detalles Bibliográficos
Autores principales: Wang, Zechen, Zheng, Liangzhen, Liu, Yang, Qu, Yuanyuan, Li, Yong-Qiang, Zhao, Mingwen, Mu , Yuguang, Li , Weifeng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8579074/
https://www.ncbi.nlm.nih.gov/pubmed/34778208
http://dx.doi.org/10.3389/fchem.2021.753002

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8579074/
https://www.ncbi.nlm.nih.gov/pubmed/34778208
http://dx.doi.org/10.3389/fchem.2021.753002

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