A novel method for drug-target affinity prediction by integrating predicted evolutionary information and multi-scale protein graphs

Abstract Background Drug-target affinity (DTA) prediction is crucial for drug discovery. While protein evolutionary features are vital for identifying conserved regions, current methods rely on computationally expensive multiple sequence alignment (MSA), creating a significant bottleneck. To address...

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Autori principali:	Mingjian Jiang, Huaibin Hang, Zihao Cui, Junxiao Feng, Weina Pang, Teng Ma, Zhi Zhang, Yaping Fan, Shunpeng Pang, Wei Zhou, Yuanyuan Zhang
Natura:	Artigo
Lingua:	Inglês
Pubblicazione:	BMC 2026-03-01
Serie:	BMC Biology
Soggetti:	Protein evolutionary information Multi-scale graph representation Drug-target affinity prediction
Accesso online:	https://doi.org/10.1186/s12915-026-02589-5
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