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Computers in Biology and Medicine|December 12, 2022
Reliable prediction of cannabinoid receptor 2 ligand by machine learning based on combined fingerprintsHao Zhou, Mengyi Shan, Lu-Ping Qin, et al.Bioorganic Chemistry|June 4, 2024
Revisiting Structure-activity Relationships: Unleashing the potential of selective Janus kinase 1 inhibitorsMengyi Shan, Xuan Zhao, Peng Sun, et al.RSC Advances|April 15, 2022
Predicting hERG channel blockers with directed message passing neural networksMengyi Shan, Chen Jiang, Jing Chen, et al.Journal of Biomolecular Structure & Dynamics|May 24, 2025
Identification of potential IL4I1 inhibitors through structure-based virtual screening and molecular dynamics simulationsXuan Zhao, Jing Chen, Mengyi Shan, et al.Chinese Journal of Natural Medicines|June 22, 2025
Combination of Astragalus-Salvia and Ophiopogon-Dendrobium herb pairs alleviates Sjögren's Syndrome via inhibiting the JAK1/STAT3 and PI3K/AKT pathways in NOD/Ltj micePeng Sun, Lili Zhu, Yang Yu, et al.Journal of Chemical Information and Modeling|January 9, 2025
Prediction of Proteolysis-Targeting Chimeras Retention Time Using XGBoost Model Incorporated with Chromatographic ConditionsXinhao Qu, Chen Jiang, Mengyi Shan, et al.Current Pharmaceutical Design|May 6, 2025
Integration Approaches of UPLC-Q-Exactive Orbitrap-MS/MS, Network Pharmacology Molecular Docking, and Molecular Dynamics to Explore the Effective Constituents and Potential Mechanisms of S. vaniniiporus vaninii against TumorWen-Long Li, Pei-Lu Wang, Yan Xu, et al.Pageof 1