SE-OnionNet: A Convolution Neural Network for Protein–Ligand Binding Affinity Prediction

SE-OnionNet: A Convolution Neural Network for Protein–Ligand Binding Affinity Prediction

Deep learning methods, which can predict the binding affinity of a drug–target protein interaction, reduce the time and cost of drug discovery. In this study, we propose a novel deep convolutional neural network called SE-OnionNet, with two squeeze-and-excitation (SE) modules, to computationally pre...

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Bibliographic Details
Main Authors: Shudong Wang, Dayan Liu, Mao Ding, Zhenzhen Du, Yue Zhong, Tao Song, Jinfu Zhu, Renteng Zhao
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-02-01
Series:Frontiers in Genetics
Subjects:
protein-ligand binding affinity
molecular docking
deep learning
convolutional neural network
drug repositioning
Online Access:https://www.frontiersin.org/articles/10.3389/fgene.2020.607824/full

Internet

https://www.frontiersin.org/articles/10.3389/fgene.2020.607824/full

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