Controlled movement of ssDNA conjugated peptide through Mycobacterium smegmatis porin A (MspA) nanopore by a helicase motor for peptide sequencing application von Chen, Zhijie, Wang, Zhenqin, Xu, Yang, Zhang, Xiaochun, Tian, Boxue, Bai, Jingwei

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Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning von Wang, Jue, Liu, Yufan, Tian, Boxue

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Accurate prediction of CDR-H3 loop structures of antibodies with deep learning von Chen, Hedi, Fan, Xiaoyu, Zhu, Shuqian, Pei, Yuchan, Zhang, Xiaochun, Zhang, Xiaonan, Liu, Lihang, Qian, Feng, Tian, Boxue

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Coronavirus envelope protein activates TMED10-mediated unconventional secretion of inflammatory factors von Liu, Lei, Zhang, Lijingyao, Hao, Xinyan, Wang, Yang, Zhang, Xiaochun, Ge, Liang, Wang, Peihui, Tian, Boxue, Zhang, Min

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Susceptibilities of Human ACE2 Genetic Variants in Coronavirus Infection von Ren, Wenlin, Zhu, Yunkai, Lan, Jun, Chen, Hedi, Wang, Yuyan, Shi, Hongyang, Feng, Fei, Chen, Da-Yuan, Close, Brianna, Zhao, Xiaomin, Wu, Jianping, Tian, Boxue, Yuan, Zhenghong, Zhou, Dongming, Saeed, Mohsan, Wang, Xinquan, Zhang, Rong, Ding, Qiang

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Covalent Modification and Regulation of the Nuclear Receptor Nurr1 by a Dopamine Metabolite von Bruning, John M., Wang, Yan, Oltrabella, Francesca, Tian, Boxue, Kholodar, Svetlana A., Liu, Harrison, Bhattacharya, Paulomi, Guo, Su, Holton, James M., Fletterick, Robert J., Jacobson, Matthew P., England, Pamela M.

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Defining the Product Chemical Space of Monoterpenoid Synthases von Tian, Boxue, Poulter, C Dale, Jacobson, Matthew P

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SARS-CoV-2 main protease cleaves MAGED2 to antagonize host antiviral defense von Ju, Xiaohui, Wang, Ziqiao, Wang, Pengcheng, Ren, Wenlin, Yu, Yanying, Yu, Yin, Yuan, Bin, Song, Jingwei, Zhang, Xiaochun, Zhang, Yu, Xu, Chang, Tian, Boxue, Shi, Yi, Zhang, Rong, Ding, Qiang

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Protein-DNA binding sites prediction based on pre-trained protein language model and contrastive learning von Liu, Yufan, Tian, Boxue

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Catalytic Roles of Active-Site Residues in 2-Methyl-3-hydroxypyridine-5-carboxylic Acid Oxygenase: An ONIOM/DFT Study von Tian, Boxue, Strid, Åke, Eriksson, Leif A

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Can Range-Separated and Hybrid DFT Functionals Predict Low-Lying Excitations? A Tookad Case Study von Tian, Boxue, Eriksson, Emma S. E., Eriksson, Leif A.

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Nickel-catalyzed enantioselective domino Heck/Sonogashira coupling for construction of C(sp)-C(sp3) bond-substituted quaternary carbon centers von Chen, Hui, Ai, Zhenkang, Guo, Lin, Yao, Licheng, Li, Yaopeng, Gu, Buming, Zhang, Yixuan, Liu, Yahu A., Tian, Boxue, Liao, Xuebin

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PointGAT: A Quantum Chemical Property Prediction Model Integrating Graph Attention and 3D Geometry von Zhang, Rong, Yuan, Rongqing, Tian, Boxue

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DeepP450: Predicting Human P450 Activities of Small Molecules by Integrating Pretrained Protein Language Model and Molecular Representation von Chang, Jiamin, Fan, Xiaoyu, Tian, Boxue

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Design of Reversible, Cysteine-Targeted Michael Acceptors Guided by Kinetic and Computational Analysis von Krishnan, Shyam, Miller, Rand M, Tian, Boxue, Mullins, R. Dyche, Jacobson, Matthew P, Taunton, Jack

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Molecular basis of human noradrenaline transporter reuptake and inhibition von Tan, Jiaxin, Xiao, Yuan, Kong, Fang, Zhang, Xiaochun, Xu, Hanwen, Zhu, Angqi, Liu, Yiming, Lei, Jianlin, Tian, Boxue, Yuan, Yafei, Yan, Chuangye

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Enhancing Protein Solubility via Glycosylation: From Chemical Synthesis to Machine Learning Predictions von Ma, Bo, Chen, Hedi, Gong, Jinyuan, Liu, Wenqiang, Wei, Xiuli, Zhang, Yajing, Li, Xin, Li, Meng, Wang, Yani, Shang, Shiying, Tian, Boxue, Li, Yaohao, Wang, Ruihan, Tan, Zhongping

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Accurate prediction of CDR-H3 loop structures of antibodies with deep learning von Chen, Hedi, Fan, Xiaoyu, Zhu, Shuqian, Pei, Yuchan, Zhang, Xiaochun, Zhang, Xiaonan, Liu, Lihang, Qian, Feng, Tian, Boxue

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Elucidating the selectivity of dyotropic rearrangements of β-lactones: a computational survey von Zhang, Jingyang, Ma, Yumiao, Qiu, Ke, Li, Bo, Xue, Zhengwen, Tian, Boxue, Tang, Yefeng

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EvoAI enables extreme compression and reconstruction of the protein sequence space von Ma, Ziyuan, Li, Wenjie, Shen, Yunhao, Xu, Yunxin, Liu, Gengjiang, Chang, Jiamin, Li, Zeju, Qin, Hong, Tian, Boxue, Gong, Haipeng, Liu, David R., Thuronyi, B. W., Voigt, Christopher A., Zhang, Shuyi

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