Deep learning approaches for de novo drug design: An overview von Wang, Mingyang, Wang, Zhe, Sun, Huiyong, Wang, Jike, Shen, Chao, Weng, Gaoqi, Chai, Xin, Li, Honglin, Cao, Dongsheng, Hou, Tingjun

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Prediction of the treatment effect of FLASH radiotherapy with synchrotron radiation from the Circular Electron–Positron Collider (CEPC) von Zhang, Junyu, Wu, Xiangyu, Qi, Pengyuan, Wang, Jike

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Theoretical Evaluation of Electrochemical Nitrate Reduction Reaction on Graphdiyne-Supported Transition Metal Single-Atom Catalysts von Ai, Fei, Wang, Jike

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Optimizing focused very-high-energy electron beams for radiation therapy based on Monte Carlo simulation von An, Chaofan, Zhang, Wei, Dai, Zeyi, Li, Jia, Yang, Xiong, Wang, Jike, Nie, Yuancun

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Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites von Wang, Xiaorui, Yin, Xiaodan, Jiang, Dejun, Zhao, Huifeng, Wu, Zhenxing, Zhang, Odin, Wang, Jike, Li, Yuquan, Deng, Yafeng, Liu, Huanxiang, Luo, Pei, Han, Yuqiang, Hou, Tingjun, Yao, Xiaojun, Hsieh, Chang-Yu

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Baryonic B Meson Decays von Huang, Xiaotao, Hsiao, Yu-Kuo, Wang, Jike, Sun, Liang

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Insights into the Electrochemical Production of Hydrogen Peroxide over Single-Atom Co–N–C Catalysts with the Introduction of Carbon Vacancy Defect near the Co–N4 Site von Ai, Fei, Wang, Jike

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Defective NiMn LDH prepared using hydrogen evolution coupled electrodeposition for highly efficient oxygen evolution reaction von Sun, Mao, Wang, Jike

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Insights into the Electrochemical Production of Hydrogen Peroxide over Single-Atom Co-N-C Catalysts with the Introduction of Carbon Vacancy Defect near the Co-N 4 Site von Ai, Fei, Wang, Jike

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Partial wave analysis using graphics processing units von Berger, Niklaus, Beijiang, Liu, Jike, Wang

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Highly Accurate and Efficient Deep Learning Paradigm for Full-Atom Protein Loop Modeling with KarmaLoop von Wang, Tianyue, Zhang, Xujun, Zhang, Odin, Chen, Guangyong, Pan, Peichen, Wang, Ercheng, Wang, Jike, Wu, Jialu, Zhou, Donghao, Wang, Langcheng, Jin, Ruofan, Chen, Shicheng, Shen, Chao, Kang, Yu, Hsieh, Chang-Yu, Hou, Tingjun

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Generic Interpretable Reaction Condition Predictions with Open Reaction Condition Datasets and Unsupervised Learning of Reaction Center von Wang, Xiaorui, Hsieh, Chang-Yu, Yin, Xiaodan, Wang, Jike, Li, Yuquan, Deng, Yafeng, Jiang, Dejun, Wu, Zhenxing, Du, Hongyan, Chen, Hongming, Li, Yun, Liu, Huanxiang, Wang, Yuwei, Luo, Pei, Hou, Tingjun, Yao, Xiaojun

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Enhancing long-term stability in oxygen evolution through in-situ etching of phase segregation Fe-Mn oxide von Sun, Mao, Zhai, Yueming, Wang, Jike

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High-entropy alloy nanocrystal assembled by nanosheets with d–d electron interaction for hydrogen evolution reaction von Wei, Min, Sun, Yuyan, Zhang, Junyu, Ai, Fei, Xi, Shibo, Wang, Jike

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Stretchable high-entropy alloy nanoflowers enable enhanced alkaline hydrogen evolution catalysis von Wei, Min, Sun, Yuyan, Ai, Fei, Xi, Shibo, Zhang, Junyu, Wang, Jike

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Mining Toxicity Information from Large Amounts of Toxicity Data von Wu, Zhenxing, Jiang, Dejun, Wang, Jike, Hsieh, Chang-Yu, Cao, Dongsheng, Hou, Tingjun

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Coupling High‐Entropy Core with Rh Shell for Efficient pH‐Universal Hydrogen Evolution von Wei, Min, Sun, Yuyan, Zhang, Junyu, Zeng, Jianrong, Wang, Jike

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InteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein–Ligand Interaction Predictions von Jiang, Dejun, Hsieh, Chang-Yu, Wu, Zhenxing, Kang, Yu, Wang, Jike, Wang, Ercheng, Liao, Ben, Shen, Chao, Xu, Lei, Wu, Jian, Cao, Dongsheng, Hou, Tingjun

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Handling shape optimization of superconducting cavities with DNMOGA von Wang, Peilin, Ye, Kuangkuang, Hao, Xuerui, Wang, Jike

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Accurate Modeling and Elimination of Double Vertical Crossing in Multi-Sampled Digital-Controlled Buck Converters von Zhou, Zhengyuan, Liu, Zeng, Guo, Lulu, Wang, Jike, Liu, Jinjun

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