化学信息学实验室
2025年发表的部分论文目录

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2025

[1] Changlin Su, Wensheng Cai, Xueguang Shao
Water as a probe for the temperature-induced self-assembly transition of an amphiphilic copolymer
Chin. Chem. Lett. 2024, 110095.
[2] Biao Ma, Nannan Chen, Wensheng Cai, Xueguang Shao
Understanding the protein conformation transition within polymer hydrogels using a near-infrared water spectroscopy probe
International Journal of Biological Macromolecules 2025, 290, 138995 .
[3] Chunsuo Tian, Xuyang Liu, Yuelei Hao, Haohao Fu, Xueguang Shao, Wensheng Cai
Flexible Tail of Antimicrobial Peptide PGLa Facilitates Water Pore Formation in Membranes
J. Phys. Chem. B. 2025, 129(5), 1453–1461.
[4] Huaxin Zhou, Haohao Fu, Xueguang Shao, Wensheng Cai.
Identification of novel inhibitors for epidermal growth factor receptor tyrosine kinase using absolute binding free-energy simulations
Int. J. Biol. Macromol. 2025, 304, 140989.
[5] Yamei Wang, Dongbei Jin, Lifang Ren, Ning Wang, Yifei Jia, Zhen Zheng, Wensheng Cai, Haohao Fu, and Gongyu Li
Sialylation Shields Glycoproteins from Oxidative Stress: Mechanistic Insights into Sialic Acid Oxidation and Structural Stability
J. Am. Chem. Soc. 2025, 147(7), 5828–5838
[6] Haipeng Wang, Xuyang Liu, Wensheng Cai, Xueguang Shao
Head-to-Tail Cyclization Enhances Ice-Growth Inhibition by Linear Threonine Oligomers
J. Chem. Inf. Model. 2025, 65(5), 2572-2591
[7] 梁繁繁,韩丽,蔡文生,邵学广
近红外光谱用于DMSO衍生物抗冻过程中水结构分析
高等学校化学学报, 2025, 46(2), 20240424