化学信息学实验室
2019年发表的部分论文目录
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2019
| [1] | Shuyu Wang, Jin Zhang, Cuicui Wang, Xiaoming Yu, Wensheng Cai, Xueguang Shao |
| Determination of triglycerides in human serum by near-infrared diffuse reflectance spectroscopy using silver mirror as a substrate | |
| Chinese Chemical Letters, 2019, 30: 111–114 | |
| [2] | Shuangli Du, Hongyu Wang, Yueyue Yang, Xizeng Feng, Xueguang Shao, Christophe Chipot, Wensheng Cai |
| Curvature of Buckybowl Corannulene Enhances Its Binding to Proteins | |
| Journal of Physical Chemistry C, 2019, 123(1): 922-930 | |
| [3] | Jin Zhang, Xiaoyu Cui, Wensheng Cai, Xueguang Shao |
| A variable importance criterion for variable selection in near-infrared spectral analysis | |
| Science China-Chemistry, 2019, 62(2): 271-–279 | |
| [4] | Jin Zhang, Cheng Guo, Xiaoyu Cui, Wensheng Cai, Xueguang Shao |
| A two-level strategy for standardization of near infrared spectra by multi-level simultaneous component analysis | |
| Analytica Chimica Acta, 2019, 1050: 25–31 | |
| [5] | Shuangli Du, Haohao Fu, Xueguang Shao, Christophe Chipot, Wensheng Cai |
| Addressing polarization phenomena in molecular machines containing transition metal ions with an additive force field | |
| Journal of Chemical Theory and Computation, 2019, 15(3): 1841-1847 | |
| [6] | Li Wang, Xuewei Zhu, Wensheng Cai, Xueguang Shao |
| Understanding the role of water during the aggregation of poly N, N-dimethylaminoethyl methacrylate) in aqueous solution using temperature-dependent near-infrared spectroscopy | |
| Physical Chemistry Chemical Physics, 2019, 21, 5780–5789 | |
| [7] | Xiaoyu Cui, Yan Sun, Wensheng Cai, Xueguang Shao |
| Chemometric methods for extracting information from temperature-dependent near-infrared spectra | |
| Science China-Chemistry, 2019, 62(5): 583-591 | |
| [8] | Hong Zhang, Xueguang Shao, Christophe Chipot, Wensheng Cai |
| pH-Controlled Fluorescence Probes for Rotaxane Isomerization | |
| Journal of Physical Chemistry C, 2019, 123(17): 11304-11309 | |
| [9] | Hong Zhang , Hugo Gattuso, Elise Dumont, Wensheng Cai, Antonio Monari, Christophe Chipot, Francois Dehez |
| Accurate Estimation of the Standard Binding Free Energy of Netropsin with DNA | |
| Molecules, 2018, 23, 228 | |
| [10] | Hong Zhang, Haohao Fu, Xueguang Shao, Fran?ois Dehez, Christophe Chipot, Wensheng Cai |
| Changes in Microenvironment Modulate the B- to A-DNA Transition | |
| Journal of Chemical Information and Modeling, 2019, 59, 2324-2330 | |
| [11] | Haochuan Chen, Hong Zhang, Xueguang Shao, Wensheng Cai |
| Tumbling of Anisole Units in Calixarene Promotes Its Shuttling in Rotaxanes | |
| The Journal of Physical Chemistry C, 2019, 123, 18050-18055 | |
| [12] | Zhiyou Zong, Qiyu Li, Zhangyong Hong, Haohao Fu, Wensheng Cai, Christophe Chipot, Huifeng Jiang, Dongyuan Zhang, Shulin Chen, Xueguang Shao |
| Lysine Mutation of the Claw-Arm-Like Loop Accelerates Catalysis by Cellobiohydrolases | |
| Journal of American Chemical Society 2019, 141, 14451-14459 | |
| [13] | Haohao Fu, Xueguang Shao, Wensheng Cai, Christophe Chipot |
| Taming Rugged Free Energy Landscapes Using an Average Force | |
| Accounts of Chemical Research 2019, 52, 3254-3264 | |
| [14] | Mian Wang, Xiaoyu Cui, Wensheng Cai and Xueguang Shao |
| Temperature-dependent near-infrared spectroscopy for studying the interactions in protein aqueous solutions | |
| NIR news, 2019, 30(5–6) 15–17 | |
| [15] | Pengjuan Zhang, Haohao Fu, Shuangli Du, Fengchao Wang, Jie Yang, Wensheng Cai and Dingbin Liu |
| Click RNA for Rapid Capture and Identification of Intracellular MicroRNA Targets | |
| Analytical Chemistry 2019, 91, 15740-15747 | |
| [16] | Bo Dong, Shuangli Du, Chunxiao Wang, Haohao Fu, Qiang Li, Nannan Xiao, Jie Yang, Xue Xue, Wensheng Cai and Dingbin Liu |
| Reversible Self-Assembly of Nanoprobes in Live Cells for Dynamic Intracellular pH Imaging | |
| ACS Nano 2019, 13, 1421-1432 |