Lan Xiang, Yi Xue* "PlanarFold: a coarse-grained molecular dynamics model of RNA in two-dimensional space." Nature Communications (2026)

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Yongzhen Hei, Banglong Wang, Yichen He, Wenjuan Wang, Yi Xue* & Chunlai Chen. "Photostability of organic fluorophore influenced by adjacent amino acid residues." Communications Chemistry (2025)

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Ning Liu*, Oleg Mikhailovskii, Nikolai R Skrynnikov, Yi Xue*. "Simulating diffraction photographs based on molecular dynamics trajectories of a protein crystal: a new option to examine structure-solving strategies in protein crystallography" IUCrJ (2023)

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Xiaodong Luan, Xinming Li*, Yufan Li, Gengchen Su, Wanchao Yin, Yi Jiang, Ning Xu, Feng Wang, Wang Cheng, Ye Jin, Leike Zhang, H. Eric Xu, Yi Xue*, Shuyang Zhang. "Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein." Science Bulletin (2022)

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Wei He, Xinming Li*, Hongjuan Xue, Yuanyuan Yang, Jun Mencius, Ling Bai, Jiayin Zhang, Jianhe Xu, Bin Wu, Yi Xue* & Shu Quan. "Insights into the client protein release mechanism of the ATP-independent chaperone Spy" Nature Communications (2022)

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Ge Han*, Yi Xue*. "Rational design of hairpin RNA excited states reveals multi-step transitions." Nature Communications (2022)

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Sha Zhao, Xinming Li, Ziyang Wen, Mengbing Zou, Ge Yu, Xiangyang Liu, Jiafei Mao, Lixin Zhang, Yi Xue, Riqiang Fu, Shenlin Wang "Dynamics of base pairs with low stability in RNA by solid-state nuclear magnetic resonance exchange spectroscopy" iScience (2022)

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Wei Li, Junjie Kou, Junying Qin, Li Li, Zhenxi Zhang, Ying Pan*, Yi Xue* & Wenjing Du. "NADPH levels affect cellular epigenetic state by inhibiting HDAC3–Ncor complex." Nature Metabolism (2021)

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Jingyi Cao*, Yi Xue*. "Characteristic chemical probing patterns of loop motifs improve prediction accuracy of RNA secondary structures." Nucleic Acids Research (2021)

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Yanjiao Wang*, Ge Han*, Xiuying Jiang, Tairan Yuwen & Yi Xue*. "Chemical shift prediction of RNA imino groups: application toward characterizing RNA excited states." Nature Communications (2021)

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Yinlong Song, Yikan Zhang*, Ying Pan*, Jianfeng He, Yan Wang, Wei Chen, Jing Guo, Haiteng Deng, Yi Xue*, Xianyang Fang, Xin Liang. "The microtubule end-binding affinity of EB1 is enhanced by a dimeric organization that is susceptible to phosphorylation." Journal of Cell Science (2020)

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