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International Journal of Molecular Sciences|February 13, 2025
Experimental and Computational Investigation of the Target and Mechanisms of <i>Gelsemium</i> Alkaloids in the Central Nervous SystemYunfan Wang, Zhijiang Yang, Tengxin Huang, et al.Molecules (Basel, Switzerland)|January 23, 2024
Quantitative Predictive Studies of Multiple Biological Activities of TRPV1 ModulatorsXinmiao Wei, Tengxin Huang, Zhijiang Yang, et al.ACS Omega|November 10, 2025
Multi-Conformation Enhanced Equivariant Graph Neural Network: Advancing Melting Point Prediction Accuracy for Organic Small MoleculesTengxin Huang, Zhijiang Yang, Mingchi Gao, et al.Molecules (Basel, Switzerland)|February 13, 2026
De Novo Generation-Based Design of Potential Computational Hits Targeting the GluN1-GluN2A ReceptorYibo Liu, Zhijiang Yang, Yixuan Guo, et al.Journal of Cheminformatics|April 29, 2024
QuanDB: a quantum chemical property database towards enhancing 3D molecular representation learningZhijiang Yang, Tengxin Huang, Li Pan, et al.Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|June 20, 2025
Q-GEM: Quantum Chemistry Knowledge Fusion Geometry-Enhanced Molecular Representation for Property PredictionZhijiang Yang, Liangliang Wang, Tengxin Huang, et al.Chemical Biology & Drug Design|July 25, 2023
Discovery of novel TRPV1 modulators through machine learning-based molecular docking and molecular similarity searchingXinmiao Wei, Qifan Yang, Zhijiang Yang, et al.Pageof 1