Author

Zhangli Lu

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Open access Sep 2026

AIDrugDesigner: a web server for drug-like molecules generation and optimization

Abstract Motivation Designing molecules with predefined properties remains a critical yet challenging task in drug discovery. Recent advances in deep learning have demonstrated strong potential in accelerating the identification of novel compounds with desired properties and activities. However, the implementation and...

Hui Zhu, Ren-Yi Zhou, Shi-Liang Zhang et al. · Bioinformatics · 0 citations

Open access Aug 2026

AbAgKer: a unified semi-supervised framework for antigen-antibody binding affinity and kinetics prediction

This work designs a biological prior-guided feature fusion framework that integrates pseudo-structural epitope knowledge and CDR-specific attention mechanisms via a mixture-of-experts architecture to effectively capture complex binding landscapes in antibody screening and drug residence time analysis.

G. Luo, Junkai Wang, Sizhe Zhang et al. · Bioinformatics · 0 citations