Structure-based, deep-learning models for protein-ligand binding affinity prediction

Structure-based, deep-learning models for protein-ligand binding affinity prediction

Abstract The launch of AlphaFold series has brought deep-learning techniques into the molecular structural science. As another crucial problem, structure-based prediction of protein-ligand binding affinity urgently calls for advanced computational techniques. Is deep learning ready to decode this pr...

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Bibliographic Details
Main Authors: Debby D. Wang, Wenhui Wu, Ran Wang
Format: Article
Language:English
Published: BMC 2024-01-01
Series:Journal of Cheminformatics
Subjects:
Binding affinity prediction
Molecular representation
Deep learning
Interpretability
Structure-based drug discovery
Online Access:https://doi.org/10.1186/s13321-023-00795-9

Internet

https://doi.org/10.1186/s13321-023-00795-9

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