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Research Square|December 8, 2025
Redefining Computational Enzymology with Multiscale Machine Learning/Molecular Mechanics: Catalytic Mechanism and Stereoselectivity in Diels-AlderasesXujian Wang, Haocheng Tang, Xiongwu Wu, et al.Chemical Science|May 18, 2026
MAPLE: a machine-learning force-field-native platform for automated reaction modeling and enzyme designXujian Wang, Zeyu Sun, Yilu Zhang, et al.Toxicological Sciences : an Official Journal of the Society of Toxicology|April 9, 2026
Role of hemopexin in protoporphyrin IX distribution and cholestatic liver injuryRuizhi Gu, Fu-Ying Qin, Zeyu Sun, et al.Journal of Cancer Research and Clinical Oncology|July 13, 2024
Deep learning model based on endoscopic images predicting treatment response in locally advanced rectal cancer undergo neoadjuvant chemoradiotherapy: a multicenter studyJunhao Zhang, Ruiqing Liu, Xujian Wang, et al.The Journal of Physical Chemistry. B|September 24, 2024
Enzyme Tunnel Dynamics and Catalytic Mechanism of Norcoclaurine Synthase: Insights from a Combined LiGaMD and DFT StudyXujian Wang, Haodong Liu, Jingyao Wang, et al.Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference|March 3, 2025
A Multi-branch Attention-based Deep Learning Method for ALS Identification with sMRI DataJiashu Guo, Deyuan Chen, Xiangzhu Zeng, et al.Pageof 2