Binding affinity prediction for protein–ligand complex using deep attention mechanism based on intermolecular interactions

Background: Accurate prediction of protein–ligand binding affinity is important for lowering the overall cost of drug discovery in structure-based drug design. For accurate predictions, many classical scoring functions and machine learning-based methods have been developed. However, these techniques...

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Bibliographic Details
Main Authors:	Ahn, J. (Author), Choi, J. (Author), Park, S. (Author), Seo, S. (Author)
Format:	Article
Language:	English
Published:	BioMed Central Ltd 2021
Subjects:	Accurate prediction Attention mechanism Attention mechanisms Binding affinities Binding affinity Binding energy binding site Binding sites Binding Sites Complexation Deep neural networks Drug discovery Forecasting Intermolecular interactions ligand Ligands machine learning Machine Learning Mechanism-based metabolism Overall costs protein protein binding Protein Binding Protein-ligand binding affinities Protein–ligand complex Protein-ligand complexes Proteins Structure based drug designs Structure-based drug design
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Binding affinity prediction for protein–ligand complex using deep attention mechanism based on intermolecular interactions

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