5 papers
Generative design and validation of therapeutic peptides for glioblastoma based on a potential target ATP5A
Hao Qian, Pu You, Lin Zeng +5
Glioblastoma (GBM) remains the most aggressive tumor, urgently requiring novel therapeutic strategies. Here, we present a dry-to-wet framework combining generative modeling and exp…
Full-Atom Peptide Design via Riemannian-Euclidean Bayesian Flow Networks
Hao Qian, Shikui Tu, Lei Xu
Diffusion and flow matching models have recently emerged as promising approaches for peptide binder design. Despite their progress, these models still face two major challenges. Fi…
Text to Sketch Generation with Multi-Styles
Tengjie Li, Shikui Tu, Lei Xu
Recent advances in vision-language models have facilitated progress in sketch generation. However, existing specialized methods primarily focus on generic synthesis and lack mechan…
Prior-Guided Flow Matching for Target-Aware Molecule Design with Learnable Atom Number
Jingyuan Zhou, Hao Qian, Shikui Tu +1
Structure-based drug design (SBDD), aiming to generate 3D molecules with high binding affinity toward target proteins, is a vital approach in novel drug discovery. Although recent…
Hallucination-Resistant Relation Extraction via Dependency-Aware Sentence Simplification and Two-tiered Hierarchical Refinement
Yupei Yang, Fan Feng, Lin Yang +5
Relation extraction (RE) enables the construction of structured knowledge for many downstream applications. While large language models (LLMs) have shown great promise in this task…