AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks

AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks

Accurate prediction of the binding affinity of a protein-ligand complex is essential for efficient and successful rational drug design. Therefore, many binding affinity prediction methods have been developed. In recent years, since deep learning technology has become powerful, it is also implemented...

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Bibliographic Details
Main Authors: Yongbeom Kwon, Woong-Hee Shin, Junsu Ko, Juyong Lee
Format: Article
Language:English
Published: MDPI AG 2020-11-01
Series:International Journal of Molecular Sciences
Subjects:
protein-ligand binding affinity
convolutional neural network
ResNext
deep learning
binding affinity prediction
docking score
Online Access:https://www.mdpi.com/1422-0067/21/22/8424

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