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The Journal of Chemical Physics|September 3, 2015
Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalizationAnders S Christensen, Marcus Elstner, Qiang Cui
Energy Efficiency|August 24, 2022
Exploring the environmental efficiency of airlines through a parallel RAM approachYe Li, Xing-Chun Huang, Qiang Cui
The Journal of Physical Chemistry. B|October 2, 2010
Sequence-dependent interaction of β-peptides with membranesJagannath Mondal, Xiao Zhu, Qiang Cui, et al.
The Journal of Physical Chemistry. B|September 3, 2014
Parametrization of DFTB3/3OB for magnesium and zinc for chemical and biological applicationsXiya Lu, Michael Gaus, Marcus Elstner, et al.
Zhongguo Yi Miao He Mian Yi|January 19, 2010
[Combination profiles of hepatitis B marks for Chinese in serosurvey in 2006]Fu-Qiang Cui, Sheng-Li Bi, Yong Zhang
Biophysical Journal|May 6, 2009
A computational framework for mechanical response of macromolecules: application to the salt concentration dependence of DNA bendabilityLiang Ma, Arun Yethiraj, Xi Chen, et al.
Elife|October 13, 2022
Deep mutational scanning and machine learning reveal structural and molecular rules governing allosteric hotspots in homologous proteinsMegan Leander, Zhuang Liu, Qiang Cui, et al.
Journal of Chemical Theory and Computation|February 28, 2022
Factors That Determine the Variation of Equilibrium and Kinetic Properties of QM/MM Enzyme Simulations: QM Region, Conformation, and Boundary ConditionDarren Demapan, Jörg Kussmann, Christian Ochsenfeld, et al.
Food Chemistry|August 3, 2021
Effect of two-step enzymatic hydrolysis on the antioxidant properties and proteomics of hydrolysates of milk protein concentrateQiang Cui, Yuxue Sun, Jianjun Cheng, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|June 23, 2016
Predicting the Structure-Activity Relationship of Hydroxyapatite-Binding Peptides by Enhanced-Sampling Molecular SimulationWeilong Zhao, Zhijun Xu, Qiang Cui, et al.
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