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cs.CE2026
GeoCycler: Reward-Aligned 3D Diffusion for Constraint-Conditioned Cyclic Peptide Design
Jingjie Zhang, Hanqun Cao, Haosen Shi +10
Cyclic peptides are attractive therapeutic modalities because their closed-ring topology can improve stability and target specificity. However, de novo cyclic peptide design remain…
cs.CE2025
Learning the PTM Code through a Coarse-to-Fine, Mechanism-Aware Framework
Jingjie Zhang, Hanqun Cao, Zijun Gao +8
Post-translational modifications (PTMs) form a combinatorial "code" that regulates protein function, yet deciphering this code - linking modified sites to their catalytic enzymes -…
cs.CE2025
SAGEPhos: Sage Bio-Coupled and Augmented Fusion for Phosphorylation Site Detection
Jingjie Zhang, Hanqun Cao, Zijun Gao +2
Phosphorylation site prediction based on kinase-substrate interaction plays a vital role in understanding cellular signaling pathways and disease mechanisms. Computational methods…