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Free Radical Biology & Medicine|June 29, 2014
Discovery of a benzofuran derivative (MBPTA) as a novel ROCK inhibitor that protects against MPP⁺-induced oxidative stress and cell death in SH-SY5Y cellsCheong-Meng Chong, Mingyun Shen, Zhong-Yan Zhou, et al.ACS Central Science|December 5, 2017
Combating Drug-Resistant Mutants of Anaplastic Lymphoma Kinase with Potent and Selective Type-I1/2 Inhibitors by Stabilizing Unique DFG-Shifted Loop ConformationPeichen Pan, Huidong Yu, Qinglan Liu, et al.Chemical Science|December 23, 2024
Correction: FragGen: towards 3D geometry reliable fragment-based molecular generationOdin Zhang, Yufei Huang, Shicheng Chen, et al.Briefings in Bioinformatics|January 3, 2024
Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiencyTianyue Wang, Langcheng Wang, Xujun Zhang, et al.Journal of Medicinal Chemistry|March 5, 2026
Nitroimidazole-Containing [68Ga]Ga-IPM-N001 as a New CAIX-Targeting Radionuclide TracerXiaoke Niu, Sixuan Cheng, Shengping Zhang, et al.Chemical Science|November 21, 2024
FragGen: towards 3D geometry reliable fragment-based molecular generationOdin Zhang, Yufei Huang, Shichen Cheng, et al.Nature Communications|March 19, 2022
p16INK4A-deficiency predicts response to combined HER2 and CDK4/6 inhibition in HER2+ breast cancer brain metastasesJing Ni, Sheheryar Kabraji, Shaozhen Xie, et al.Journal of the American Chemical Society|January 13, 2026
MetalloDock: Decoding Metalloprotein-Ligand Interactions via Physics-Aware Deep Learning for Metalloprotein Drug DiscoveryHui Zhang, Xujun Zhang, Qun Su, et al.Science Advances|March 5, 2025
Discovery of antimicrobial peptides with notable antibacterial potency by an LLM-based foundation modelJike Wang, Jianwen Feng, Yu Kang, et al.Nature Computational Science|January 4, 2024
Efficient and accurate large library ligand docking with KarmaDockXujun Zhang, Odin Zhang, Chao Shen, et al.Pageof 10