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Cell Reports|May 30, 2025
Unveiling the evolution of antimicrobial peptides in gut microbes via foundation-model-powered frameworkWenhui Li, Baicheng Huang, Menghao Guo, et al.European Journal of Medicinal Chemistry|March 2, 2020
Novel androgen receptor antagonist identified by structure-based virtual screening, structural optimization, and biological evaluationQin Tang, Weitao Fu, Minkui Zhang, et al.Nature Communications|October 1, 2025
Unified and explainable molecular representation learning for imperfectly annotated data from the hypergraph viewBowen Wang, Junyou Li, Donghao Zhou, et al.Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|November 26, 2021
Discovery of Novel GR Ligands toward Druggable GR Antagonist Conformations Identified by MD Simulations and Markov State Model AnalysisXueping Hu, Jinping Pang, Jintu Zhang, et al.Nucleic Acids Research|May 6, 2025
HawkDock version 2: an updated web server to predict and analyze the structures of protein-protein complexesXujun Zhang, Linlong Jiang, Gaoqi Weng, et al.Research (Washington, D.C.)|January 30, 2025
Discovery of Novel Nav1.7-Selective Inhibitors with the 1H-Indole-3-Propionamide Scaffold for Effective Pain ReliefGaoang Wang, Hang Wu, Yingying Wang, et al.Nature Computational Science|January 4, 2024
Learning on topological surface and geometric structure for 3D molecular generationOdin Zhang, Tianyue Wang, Gaoqi Weng, et al.Research (Washington, D.C.)|July 26, 2024
Highly Accurate and Efficient Deep Learning Paradigm for Full-Atom Protein Loop Modeling with KarmaLoopTianyue Wang, Xujun Zhang, Odin Zhang, et al.Nature Computational Science|January 4, 2024
Efficient and accurate large library ligand docking with KarmaDockXujun Zhang, Odin Zhang, Chao Shen, et al.Nature Structural & Molecular Biology|March 26, 2026
Structural insight into IscB's RNA-lid-based inactivation mechanismFeizuo Wang, Ruochen Guo, Senfeng Zhang, et al.Pageof 5