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[315]
|
Cuicui
Wang, Wensheng Cai, Xueguang Shao
|
|
|
Experimental
and chemometric optimization to enhance the
performance of near-infrared diffuse reflectance spectroscopy
|
|
|
Analytical Letters, 2018, 51(4): 537-546
|
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[316]
|
Haohao
Fu, James C. Gumbart, Haochuan
Chen, Xueguang Shao, Wensheng Cai, Christophe Chipot
|
|
|
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
|
|
[317]
|
Dan Cheng, Wensheng Cai, Xueguang Shao
|
|
|
Understanding the
Interaction Between Oligopeptide and Water in
Aqueous Solution Using Temperature-Dependent Near-Infrared Spectroscopy
|
|
|
Applied
spectroscopy, 2018, 72(9) : 1354-1361
|
|
[318]
|
Shuangli
Du, Haohao Fu, Xueguang Shao, Christophe Chipot, Wensheng Cai
|
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|
Water-Controlled Switching
in Rotaxanes
|
|
|
Journal
of Physical Chemistry C, 2018, 122(16) : 9229-9234
|
|
[319]
|
Xueguang
Shao, Xiaoyu Cui, Xiaoming Yu, Wensheng Cai
|
|
|
Mutual factor analysis for
quantitative analysis by temperature dependent near infrared spectra
|
|
|
Talanta,
2018, 183: 142–148
|
|
[320]
|
Haochuan
Chen, Haohao Fu, Xueguang
Shao, Christophe Chipot, Wensheng Cai
|
|
|
ELF: An extended-lagrangian free energy calculation module for multiple
molecular dynamics engines
|
|
|
Journal
of Chemical Information and Modeling, 2018, 58(7): 1315-1318
|
|
[321]
|
Xuewei Zhu, Xiaoyu
Cui, Wensheng Cai, Xueguang Shao
|
|
|
Temperature dependent near infrared spectroscopy for
understanding the hydrogen bonding of amines
|
|
|
Acta Chimica Sinica,
2018, 76(4) : 298-302
|
|
[322]
|
Li Ma, Xiaoyu
Cui, Wensheng Cai, Xueguang Shao
|
|
|
Understanding the function
of water during the gelation of globular proteins
by temperature-dependent near infrared spectroscopy
|
|
|
Physical
Chemistry Chemical Physics, 2018, 20(30) : 20132-20140
|
|
[323]
|
Haohao
Fu, Hong Zhang, Haochuan Chen, Xueguang
Shao, Christophe Chipot, Wensheng Cai
|
|
|
Zooming across the
free-energy landscape: shaving barriers, and flooding valleys
|
|
|
Journal
of Physical Chemistry Letters, 2018, 9(16) : 4738-4745
|
|
[324]
|
Haochuan Chen, Haohao
Fu, Xueguang Shao, Wensheng Cai
|
|
|
Importance sampling methods and free energy
calculations
|
|
|
Progress in Chemistry，2018,
30(7) : 921-931
|
|
[325]
|
Hong Zhang, Haohao Fu, Xueguang Shao, Christophe Chipot,
Antonio Monari, Francois Dehez,
Wensheng Cai
|
|
|
Conformational changes of
DNA induced by a trans-azobenzene derivative via
non-covalent interactions
|
|
|
Physical
Chemistry Chemical Physics, 2018, 20(35) : 22645-22651
|
|
[326]
|
Jin Zhang, Xiaoyu Cui, Wensheng Cai, Xueguang Shao
|
|
|
Combination of heuristic
optimal partner bands for variable selection in near-infrared spectral
analysis
|
|
|
Journal
of Chemometrics, 2018, 32(11): e2971 (DOI:
10.1002/cem.2971)
|
|
[327]
|
Xiaoyu
Cui, Jin Zhang, Wensheng Cai,
Xueguang Shao
|
|
|
Selecting
temperature-dependent variables in near-infrared spectra for aquaphotomics
|
|
|
Chemometrics
and Intelligent Laboratory Systems, 2018, 183: 23-28
|
|
[328]
|
Jin Zhang, Xiaoyu Cui, Wensheng Cai, Xueguang Shao
|
|
|
Modified linear model
correction: A calibration transfer method without standard samples
|
|
|
NIR
news, 2018, 29(8): 24–27
|
|
[329]
|
Hong Zhang, Wensheng Cai, Xueguang Shao
|
|
|
Effect of different force
fields on B-DNA to A-DNA conversion
|
|
|
Chemical
Journal of Chinese Universities-Chinese, 2018, 39(6): 1205-1211
|