Multifunctional Au I -based AIEgens: Manipulating Molecular Structures and Boosting Specific Cancer Cell Imaging and Theranostics von Zhang, Jing, Zou, Hang, Lei, Jinping, He, Benzhao, He, Xuewen, Sung, Herman H Y, Kwok, Ryan T K, Lam, Jacky W Y, Zheng, Lei, Tang, Ben Zhong

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The hydrolytic water molecule of Class A β-lactamase relies on the acyl-enzyme intermediate ES for proper coordination and catalysis von He, Yunjiao, Lei, Jinping, Pan, Xuehua, Huang, Xuhui, Zhao, Yanxiang

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3D Conformational Generative Models for Biological Structures Using Graph Information-Embedded Relative Coordinates von Xu, Mingyuan, Huang, Weifeng, Xu, Min, Lei, Jinping, Chen, Hongming

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Structure-Based Virtual Screening for Methyltransferase Inhibitors of SARS-CoV-2 nsp14 and nsp16 von Wu, Kejue, Guo, Yinfeng, Xu, Tiefeng, Huang, Weifeng, Guo, Deyin, Cao, Liu, Lei, Jinping

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Targeting autophagy peptidase ATG4B with a novel natural product inhibitor Azalomycin F4a for advanced gastric cancer von Zhong, Lin, Yang, Bin, Zhang, Zhenhua, Wang, Junfeng, Wang, Xiaojuan, Guo, Yinfeng, Huang, Weifeng, Wang, Qianqian, Cai, Guodi, Xia, Fan, Zhou, Shengning, Ma, Shuai, Nie, Yichu, Lei, Jinping, Li, Min, Liu, Peiqing, Deng, Wenbin, Liu, Yonghong, Han, Fanghai, Wang, Junjian

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Prediction of Spatiotemporal Invasive Risk of the Red Import Fire Ant, Solenopsis invicta (Hymenoptera: Formicidae), in China von Song, Jinyue, Zhang, Hua, Li, Ming, Han, Wuhong, Yin, Yuxin, Lei, Jinping

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Ilicicolin A Exerts Antitumor Effect in Castration-Resistant Prostate Cancer Via Suppressing EZH2 Signaling Pathway von Guo, Lang, Luo, Xiaowei, Yang, Ping, Zhang, Yanting, Huang, Jialuo, Wang, Hong, Guo, Yinfeng, Huang, Weifeng, Chen, Zhiqiang, Wang, Shusheng, Wang, Junjian, Lei, Jinping, Xiang, Songtao, Liu, Yonghong

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Targeting castration-resistant prostate cancer with a novel RORγ antagonist elaiophylin von Zheng, Jianwei, Wang, Junfeng, Wang, Qian, Zou, Hongye, Wang, Hong, Zhang, Zhenhua, Chen, Jianghe, Wang, Qianqian, Wang, Panxia, Zhao, Yueshan, Lu, Jing, Zhang, Xiaolei, Xiang, Songtao, Wang, Haibin, Lei, Jinping, Chen, Hong-Wu, Liu, Peiqing, Liu, Yonghong, Han, Fanghai, Wang, Junjian

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Fabrication and characterization of modified-hydroxyapatite/polyetheretherketone coating materials von Ma, Rui, Fang, Lin, Luo, Zhongkuan, Zheng, Ruisheng, Song, Shenhua, Weng, Luqian, Lei, JinPing

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Quantitative Determination of Citric Acid in Seminal Plasma by Using Raman Spectroscopy von Huang, Zufang, Chen, Xiwen, Li, Yongzeng, Chen, Jinhua, Lin, Juqiang, Wang, Jing, Lei, Jinping, Chen, Rong

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DiffDec: Structure-Aware Scaffold Decoration with an End-to-End Diffusion Model von Xie, Junjie, Chen, Sheng, Lei, Jinping, Yang, Yuedong

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Multifunctional AuI‐based AIEgens: Manipulating Molecular Structures and Boosting Specific Cancer Cell Imaging and Theranostics von Zhang, Jing, Zou, Hang, Lei, Jinping, He, Benzhao, He, Xuewen, Sung, Herman H. Y., Kwok, Ryan T. K., Lam, Jacky W. Y., Zheng, Lei, Tang, Ben Zhong

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DRlinker: Deep Reinforcement Learning for Optimization in Fragment Linking Design von Tan, Youhai, Dai, Lingxue, Huang, Weifeng, Guo, Yinfeng, Zheng, Shuangjia, Lei, Jinping, Chen, Hongming, Yang, Yuedong

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Mechanistic Insights into a Classic Wonder DrugAspirin von Lei, Jinping, Zhou, Yanzi, Xie, Daiqian, Zhang, Yingkai

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Discovery of the small molecular inhibitors against sclerostin loop3 as potential anti-osteoporosis agents by structural based virtual screening and molecular design von Yu, Sifan, Huang, Weifeng, Zhang, Hao, Guo, Yinfeng, Zhang, Baoting, Zhang, Ge, Lei, Jinping

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Blue Light-Promoted Formal [4+1]-Annulation of Diazoacetates with o‑Aminoacetophenones: Synthesis of Polysubstituted Indolines and Computational Study von Chen, Jinzhou, Liu, Shuhao, Lv, Xinxin, Hong, Kemiao, Lei, Jinping, Xu, Xinfang, Hu, Wenhao

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Crystallographic Snapshots of Class A β-Lactamase Catalysis Reveal Structural Changes That Facilitate β-Lactam Hydrolysis von Pan, Xuehua, He, Yunjiao, Lei, Jinping, Huang, Xuhui, Zhao, Yanxiang

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A novel PPARβ/FFA1 dual agonist Y8 promotes diabetic wound healing von Guan, Sujuan, Hu, Tingting, Chen, Liushan, Li, Zheng, Lin, Zhenming, Lei, Jinping, Shen, Juan

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Surface urban heat island and its relationship with land cover change in five urban agglomerations in China based on GEE von Zhang, Hua, Yin, Yuxin, An, Huimin, Lei, Jinping, Li, Ming, Song, Jinyue, Han, Wuhong

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GRELinker: A Graph-Based Generative Model for Molecular Linker Design with Reinforcement and Curriculum Learning von Zhang, Hao, Huang, Jinchao, Xie, Junjie, Huang, Weifeng, Yang, Yuedong, Xu, Mingyuan, Lei, Jinping, Chen, Hongming

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