Prof. Hanyu GAO's Publications
Year: Show All | 2025 | 2024 | 2023 | 2022
Article
Che, Xinhao; Zhao, Yujing; Liu, Qilei; Yu, Fang; Gao, Hanyu; Zhang, Lei, "CSstep: Step-by-step exploration of the chemical space of drug molecules via multi-agent and multi-stage reinforcement learning", Chemical Engineering Science, v. 317, November 2025, article number 122048 (2025) 
Deng, Puqing; Zhang, Yuanxuan; Xu, Lianjie; Lyu, Jinyu; Li, Linyan; Sun, Fei; Zhang, Wen-bin; Gao, Hanyu, "Computational discovery and systematic analysis of protein entangling motifs in nature: from algorithm to database", Chemical Science, v. 16, (20), May 2025, p. 8998-9009 (2025)
Zhou, Haifan; Fang, Yue; Li, Linyan; Liu, Pingwei; Gao, Hanyu, "De Novo Design of Polymers with Specified Properties Using Reinforcement Learning", Macromolecules, v. 58, (11), May 2025, p. 5477-5486 (2025)
Deng, Puqing; Xu, Lianjie; Wei, Ying; Sun, Fei; Li, Linyan; Zhang, Wen-Bin; Gao, Hanyu, "Deep Learning-Assisted Discovery of Protein Entangling Motifs", Biomacromolecules, v. 26, (3), March 2025, p. 1520-1529 (2025)
Sun, Yibin; Fang, Yue; Liu, Yajie; Jiang, Fengyi; Lei, Zhichao; Gao, Hanyu; Zhang, Wen-Bin, "Designing Catalysts to Accelerate a Protein-Peptide Assembly-Reaction Cascade", ACS Central Science, June 2025 (2025)
Wan, Hao; Fang, Yue; Hu, Min; Guo, Shuya; Sui, Zhiqiang; Huang, Xiaoshan; Liu, Zili; Zhao, Yue; Liang, Hong; Wu, Yufang; Gao, Hanyu; Qiao, Zhiwei, "Interpretable Machine-Learning and Big Data Mining to Predict the CO2 Separation in Polymer-MOF Mixed Matrix Membranes", Advanced Science, February 2025 (2025)
Fang, Yue; Gao, Hanyu, "Kinetic modeling for radical polymerization and depolymerization", Current Opinion in Chemical Engineering, v. 49, September 2025, article number 101152 (2025)
Xiao, Yangke; Zhu, Liqian; Gao, Hanyu; Wang, Qingyue; Wang, Wen-Jun; Li, Bo-Geng; Liu, Pingwei, "Synthesis of Cross-Linked Polyolefin Elastomers with High Performance Yet Good Reprocessability", Industrial and Engineering Chemistry Research, v. 64, (9), March 2025, p. 5080-5086 (2025)
