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Science Advances|February 16, 2022
High-throughput glycolytic inhibitor discovery targeting glioblastoma by graphite dots-assisted LDI mass spectrometryRui Shi, Peichen Pan, Rui Lv, et al.Journal of Medicinal Chemistry|January 23, 2025
Discovery of N-(1,2,4-Thiadiazol-5-yl)benzo[b]oxepine-4-carboxamide Derivatives as Novel Antiresistance Androgen Receptor AntagonistsJianing Liao, Jinbiao Liao, Ying Wang, et al.Journal of Medicinal Chemistry|November 7, 2024
Discovery of 5-Nitro-N-(3-(trifluoromethyl)phenyl) Pyridin-2-amine as a Novel Pure Androgen Receptor Antagonist against Antiandrogen ResistanceHuating Wang, Xuwen Wang, Haiyang Zhong, et al.Journal of Medicinal Chemistry|September 20, 2018
Structure-Based Drug Design and Identification of H2O-Soluble and Low Toxic Hexacyclic Camptothecin Derivatives with Improved Efficacy in Cancer and Lethal Inflammation Models in VivoPeichen Pan, Jiean Chen, Xijian Li, et al.Journal of Medicinal Chemistry|June 19, 2025
Design and Synthesis of PAN Endonuclease Inhibitors through Spirocyclization Strategy against Influenza A VirusShuangrong Liu, Yuting Li, Bo Peng, 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.Nature Communications|November 23, 2024
ClickGen: Directed exploration of synthesizable chemical space via modular reactions and reinforcement learningMingyang Wang, Shuai Li, Jike Wang, et al.Chemical Science|January 26, 2024
CarsiDock: a deep learning paradigm for accurate protein-ligand docking and screening based on large-scale pre-trainingHeng Cai, Chao Shen, Tianye Jian, et al.Cell Death Discovery|August 29, 2017
Discovery of a ROCK inhibitor, FPND, which prevents cerebral hemorrhage through maintaining vascular integrity by interference with VE-cadherinShang Li, Nana Ai, Mingyun Shen, 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.Pageof 10