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[1]
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Cuicui Wang, Wensheng Cai,
Xueguang Shao
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Experimental and chemometric
optimization to enhance the performance of near-infrared diffuse reflectance
spectroscopy
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Analytical
Letters, 2018, 51(4): 537-546
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[2]
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Haohao Fu, James C.
Gumbart, Haochuan Chen, Xueguang Shao, Wensheng Cai, Christophe Chipot
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BFEE: A User-Friendly
Graphical Interface Facilitating Absolute Binding Free-Energy Calculations
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Journal
of Chemical Information and Modeling, 2018, 58(3): 556-560
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[3]
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Dan Cheng, Wensheng Cai,
Xueguang Shao
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Understanding the
Interaction Between Oligopeptide and Water in Aqueous Solution Using
Temperature-Dependent Near-Infrared Spectroscopy
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Applied
spectroscopy, 2018, 72(9) : 1354-1361
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[4]
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Shuangli Du, Haohao Fu,
Xueguang Shao, Christophe Chipot, Wensheng Cai
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Water-Controlled Switching
in Rotaxanes
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Journal
of Physical Chemistry C, 2018, 122(16) : 9229-9234
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[5]
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Xueguang Shao, Xiaoyu Cui,
Xiaoming Yu, Wensheng Cai
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Mutual factor analysis for
quantitative analysis by temperature dependent near infrared spectra
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Talanta,
2018, 183: 142–148
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[6]
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Haochuan Chen, Haohao Fu, Xueguang
Shao, Christophe Chipot, Wensheng Cai
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ELF: An
extended-lagrangian free energy calculation module for multiple molecular
dynamics engines
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Journal
of Chemical Information and Modeling, 2018, 58(7): 1315-1318
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[7]
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朱雪薇 崔晓宇 蔡文生 邵学广
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温控近红外光谱用于胺类化合物氢键相互作用研究
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化学学报,
2018, 76(4) : 298-302
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[8]
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Li Ma, Xiaoyu Cui,
Wensheng Cai, Xueguang Shao
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Understanding the function
of water during the gelation of globular proteins by temperature-dependent
near infrared spectroscopy
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Physical
Chemistry Chemical Physics, 2018, 20(30) : 20132-20140
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[9]
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Haohao Fu, Hong Zhang,
Haochuan Chen, Xueguang Shao, Christophe Chipot, Wensheng Cai
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Zooming across the
free-energy landscape: shaving barriers, and flooding valleys
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Journal
of Physical Chemistry Letters, 2018, 9(16) : 4738-4745
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[10]
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陈淏川, 付浩浩,
邵学广, 蔡文生
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重要性采样方法与自由能计算
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化学进展，2018, 30(7) : 921-931
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[11]
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Hong Zhang, Haohao Fu,
Xueguang Shao, Christophe Chipot, Antonio Monari, Francois Dehez, Wensheng
Cai
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Conformational changes of
DNA induced by a trans-azobenzene derivative via non-covalent interactions
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Physical
Chemistry Chemical Physics, 2018, 20(35) : 22645-22651
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[12]
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Jin Zhang, Xiaoyu Cui,
Wensheng Cai, Xueguang Shao
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Combination of heuristic
optimal partner bands for variable selection in near-infrared spectral
analysis
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Journal
of Chemometrics, 2018, 32(11): e2971 (DOI: 10.1002/cem.2971)
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[13]
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Xiaoyu Cui, Jin Zhang,
Wensheng Cai, Xueguang Shao
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Selecting
temperature-dependent variables in near-infrared spectra for aquaphotomics
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Chemometrics
and Intelligent Laboratory Systems, 2018, 183: 23-28
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[14]
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Jin Zhang, Xiaoyu Cui,
Wensheng Cai, Xueguang Shao
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Modified linear model
correction: A calibration transfer method without standard samples
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NIR
news, 2018, 29(8): 24–27
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[15]
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张宏, 蔡文生,
邵学广
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不同力场对B-DNA 到A-DNA构型转变的影响
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高等学校化学学报, 2018, 39(6): 1205-1211
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