A Publication List of the Laboratory Since 1995
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2024
| [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] | Fanfan Liang，Li Han，Wensheng Cai，Xueguang Shao |
| Understanding the Water Structures in Antifreezing of DMSO Derivatives by Near-infrared Spectroscopy | |
| Chemical Journal of Chinese Universities, 2025, 46(2), 20240424 | |
| [8] | Li Han, Haipeng Wang, Wensheng Cai, Xueguang Shao |
| Near-Infrared Spectral Evidence for Water Structures in Icing by Chemometrics and Simulation | |
| Anal. Chem. 2025, 97(23), 12100–12107 | |
| [9] | Mengchen Zhou, Xueguang Shao, Wensheng Cai, Christophe Chipot, Haohao Fu* |
| Zooming across the Alchemical Space | |
| J. Phys. Chem. Lett. 2025, 16(18), 4419–4427 | |
| [10] | Hengwei Bian, Xueguang Shao, Christophe Chipot, Wensheng Cai, Haohao Fu |
| A formally exact method for high-throughput absolute binding-free-energy calculations | |
| Nat. Comput. Sci, 2025, 5 (8), 621-626. | |
| [11] | Jiashun Fu, Xuyang Liu, Ruijie Deng, Xiue Jiang, Wensheng Cai, Haohao Fu, Xueguang Shao |
| Accurate Prediction of CRISPR/Cas13a Guide Activity Using Feature Selection and Deep Learning | |
| J. Chem. Inf. Model. 2025, 65, 7, 3380–3387 | |
| [12] | Youchao Xie, Li Han, Wensheng Cai, Xueguang Shao |
| Enhanced bi-branch deep learning network for in vivo hyperspectral imaging recognition of organs and tissues | |
| Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2026, 345, 126815 | |
| [13] | Chunsuo Tian, Yuelei Hao, Haohao Fu, Xueguang Shao, and Wensheng Cai |
| From AI-Driven Sequence Generation to Molecular Simulation: A Comprehensive Framework for Antimicrobial Peptide Discovery | |
| J. Chem. Inf. Model. 2025, 65(18), 9566-9575 | |
| [14] | Xia Xu, Weida Qin, Haohao Fu, Ruomeng Li, Chunxiao Chen, Baofa Sun, Daiwen Pang, Xueguang Shao, and Gongyu Li |
| High-Coverage Stereoproteome Mapping Uncovers Pervasive Protein Stereoisomerization Associated with Neurodegeneration | |
| Anal. Chem. 2025, 97(14), 7814−7824 | |
| [15] | Jiashun Fu, Xuyang Liu, Wensheng Cai, Haohao Fu, and Xueguang Shao |
| SpeLL: An Agent for Natural Language-Driven Intelligent Spectral Modeling | |
| J. Chem. Inf. Model. 2025, 65(15), 7844-7850. |