Author

Shui-Wang Ji

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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

Preprint Aug 2026

AnaDiffusion: Anatomically CompositionalLatent Diffusion for Controllable 3D Brain MRI Generation

3D brain MRI generation has made significant advances in medical imaging, simulation, and controllable anatomical analysis. However, existing generative models typically synthesize 3D volumes monolithically, often overlooking regional anatomical structures and limiting local controllability. To address these limitation...

Hui-Wen Han, Lu Liu, Bangya Liu et al. · 0 citations