化学信息学实验室
2023年发表的部分论文目录
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2023
[1] | Li Han, Yan Sun, Yan Wang, Haohao Fu, Chaoshu Duan, Mian Wang, Wensheng Cai and Xueguang Shao |
Ultra-high resolution near-infrared spectrum by wavelet packet transform revealing the hydrogen bond interactions | |
Spectrochim. Acta, Part A, 2023, 289, 122233 | |
[2] | Mian Wang, Hongle An, Wengsheng Cai and Xueguang Shao |
Wavelet Transform Makes Water an Outstanding Near-Infrared Spectroscopic Probe | |
Chemosensors 2023, 11(1), 37 | |
[3] | Mian Wang, Wensheng Cai, Xueguang Shao |
Resolving Near-Infrared Spectra by Generalized Window Factor Analysis for Understanding Interactions in Aqueous Solution | |
Anal. Lett. 2023, 56(14), 2226–2236 | |
[4] | Xia Xu, Li Han, Zhen Zheng, Rui Zhao, Lingjun Li, Xueguang Shao, and Gongyu Li |
Composite Multidimensional Ion Mobility-Mass Spectrometry for Improved Differentiation of Stereochemical Modifications | |
Anal. Chem. 2023, 95(4), 2221-2228. | |
[5] | Changlin Su, Li Han, Hongle An, Wensheng Cai, Xueguang Shao |
Structures of water on the surface of anatase TiO2 studied by diffuse reflectance near-infrared spectroscopy | |
Spectrochim. Acta, Part A, 2023, 296, 122674. | |
[6] | 粟李醴, 邵学广, 蔡文生. |
Tau蛋白R2/wt片段形态受渗透剂影响机理的分子动力学模拟 | |
高等学校化学学报. 2023, 44(4), 20220745. | |
[7] | 王岩, 蔡文生, 邵学广 |
近红外光谱用于低共熔溶剂中水结构的分析 | |
高等学校化学学报, 2023, 44(6): 20230017. | |
[8] | Haohao Fu, Christophe Chipot, Xueguang Shao, Wensheng Cai |
Achieving Accurate Standard Protein?Protein Binding Free Energy Calculations through the Geometrical Route and Ergodic Sampling | |
J. Chem. Inf. Model. 2023, 63(8), 2512-2519 | |
[9] | Li Han, Haipeng Wang, Wensheng Cai, Xueguang Shao |
Mechanism of Binding of Polyproline to Ice via Interfacial Water: An Experimental and Theoretical Study | |
J. Phys. Chem. Lett. 2023, 14, 4127-4133. |