Harnessing pre-trained models for accurate prediction of protein-ligand binding affinity

Abstract Background The binding between proteins and ligands plays a crucial role in the field of drug discovery. However, this area currently faces numerous challenges. On one hand, existing methods are constrained by the limited availability of labeled data, often performing inadequately when addr...

Popoln opis

Bibliografske podrobnosti

Principais autores:	Jiashan Li, Xinqi Gong
Format:	Artigo
Jezik:	Inglês
Izdano:	BMC 2025-02-01
Serija:	BMC Bioinformatics
Teme:	Binding affinity Binding site prediction Molecular representation Molecular pre-training
Online dostop:	https://doi.org/10.1186/s12859-025-06064-w
Oznake:	Označite Brez oznak, prvi označite!