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...

Celý popis

Podrobná bibliografie

Hlavní autoři:	Debby D. Wang, Wenhui Wu, Ran Wang
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	BMC 2024-01-01
Edice:	Journal of Cheminformatics
Témata:	Binding affinity prediction Molecular representation Deep learning Interpretability Structure-based drug discovery
On-line přístup:	https://doi.org/10.1186/s13321-023-00795-9
Tagy:	Přidat tag Žádné tagy, Buďte první, kdo vytvoří štítek k tomuto záznamu!