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Preprint Sep 2026

Assay-Aware BindingDB: Curating Experimental Context for Binding Affinity Prediction

Protein--ligand binding affinity prediction is fundamental to computational drug discovery, yet modern AI-driven models are limited by pervasive heterogeneity in their training data: bioactivity values are aggregated across diverse assay types and experimental conditions without accounting for protocol-level difference...

Ming-Hsiu Wu, Xu-Xu Guo, Bing-Song Zeng et al. · 0 citations
Open access Sep 2026

Modified Bixuesan modulates inflammatory and apoptotic gene expression in post-radiotherapy chronic pharyngitis of laryngeal cancer: an integrative network pharmacology and in vitro validation study

Post-radiotherapy chronic pharyngitis affects 60%–80% of laryngeal cancer survivors and is characterized by sustained elevation of pro-inflammatory cytokines and dysregulation of key apoptotic and oncogenic signaling pathways, including NF-κB/PI3K-AKT/EGFR and TP53/CASP3 axes. Modified Bixuesan (MBS), a classical T...

Dong-Qing Lu, Xu-Xu Guo, Jun-Jun Gao et al. · 0 citations

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