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[315]
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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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[316]
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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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[317]
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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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[318]
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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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[319]
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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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[320]
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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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[321]
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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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[322]
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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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[323]
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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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[324]
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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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[325]
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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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[326]
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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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[327]
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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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[328]
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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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[329]
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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
|