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Author

Sheng-Yong Yang

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REAPS: An All-Atom Receptor-Aware Geometric Deep Learning Framework for De Novo Design of Linear and Macrocyclic Peptide Binders

The REceptor-Aware Peptide Sequence Designer (REAPS), a geometric graph neural network that reframes sequence design for peptide binders by treating the receptor as a fully observable all-atom context, is introduced.

Yong-Kang Qiu, Jing-Xin Qiao, Leng-Jing Zhu et al. · 0 citations
Jul 2026

Discovery of Deuterated 3,4-Dihydro-benzo[e][1,4]diazepine-2,5-dione Derivatives as Potent, Selective and Orally Bioavailable ROCK2 Inhibitors.

Findings establish 22d as a novel lead compound that impairs breast cancer metastasis through targeted disruption of the ROCK2-STAT3 signaling axis, providing a promising foundation for further therapeutic development against metastatic breast cancer.

Yue-Shan Li, Li-Ting Zhang, Hai-Xing Xu et al. · 0 citations

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