2020

[458] Hong Zhang, Xueguang Shao, Fran?ois Dehez, Wensheng Cai, Christophe Chipot
Modulation of Membrane Permeability by Carbon Dioxide
Journal of Computational Chemistry, 2020, 41: 421426
[459] Shuangli Du, Han Liu, Xueguang Shao, Christophe Chipot, Wensheng Cai
Free-Energy Landscape of Stepwise, Directional Motion in Multiple Molecular Switches
Journal of Physical Chemistry C, 2020, 124: 6448-6453
[460] Heying Feng, Haohao Fu, Xueguang Shao, Wensheng Cai
Insights into directional movement in molecular machines from free-energy calculations
Physical Chemistry Chemical Physics, 2020, 22: 7888-7893
[461] Yan Sun, Li Ma, Wensheng Cai, Xueguang Shao
Interaction between tau and water during the induced aggregation revealed by near-infrared spectroscopy
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2020, 230: 118046
[462] Yan Sun, Xiaoyu Cui, Wensheng Cai, Xueguang Shao
Understanding the complexity of the structures in alcohol solutions by temperaturedependent nearinfrared spectroscopy
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2020, 229: 117864
[463] Li Han, Xiaoyu Cui, Wensheng Cai, Xueguang Shao
Threelevel simultaneous component analysis for analyzing the nearinfrared spectra of aqueous solutions under multiple perturbations
Talanta, 2020, 217: 121036
[464] Mingyuan Wang, Xiaoyu Cui, Wensheng Cai, Xueguang Shao
Temperature-Dependent Near-Infrared Spectroscopy for Sensitive Detection of Glucose
Acta Chimica Sinica, 2020, 78(2): 125-129
[465] Haohao Fu, Haochuan Chen, Xin'ao Wang, Hao Chai, Xueguang Shao, Wensheng Cai, Christophe Chipot
Finding an Optimal Pathway on a Multidimensional Free-Energy Landscape
Journal of Chemical Information and Modeling,2020, 60: 5366-5374
[466] Han Liu, Haohao Fu, Xueguang Shao, Wensheng Cai, Christophe Chipot
Accurate Description of Cation-pi Interactions in Proteins with a Nonpolarizable Force Field at No Additional Cost
Journal of Chemical Theory and Computation,2020, 16: 6397-6407
[467] Hongtao Zhao, Yan Sun, Yichang Guo, Wensheng Cai, Xueguang Shao
Near infrared spectroscopy for low-temperature water structure analysis
Chemical Journal of Chinese Universities, 2020, 41: 1968-1974
[468] Yichang Guo, Haohao Fu, Xueguang Shao, Wensheng Cai
Unveiling the Hidden Movements in the Shuttling of Rotaxanes
Chemical Research in Chinese Universities, 2020, 36: 748-754
[469] Cai Zhang, Xiaoyu Cui, Jie Yang, Xueguang Shao, Yuying Zhang, Dingbin Liu
Stimulus-responsive surface-enhanced Raman scattering: a "Trojan horse" strategy for precision molecular diagnosis of cancer
Chemical Science, 2020, 11: 6111-6120
[470] Jiahua Tan, Yan Sun, Li Ma, Heying Feng, Yichang Guo, Wensheng Cai, Xueguang Shao
Knowledge-based genetic algorithm for resolving the near-infrared spectrum and understanding the water structures in aqueous solution
Chemometrics and Intelligent Laboratory Systems, 2020, 206: 104150
[471] Yan Sun, Li Ma, Li Wang, Xuewei Zhu, Wensheng Cai, Xueguang Shao
Understanding the role of water in the aggregation of proteins and polymers in aqueous solution using near-infrared spectroscopy
NIR news, 2020, 31: 21-24
[472] Yan Sun, Wensheng Cai, Xueguang Shao
Water as a spectroscopic probe for detection of structural analysis
Journal of Instrumentation Analysis, 2020, 39: 1204-1208