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The Journal of Chemical Physics
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February 3, 2025
RADE: A reduced approach to density-functional expansion
Yaoquan Tu, Aatto Laaksonen
The Journal of Physical Chemistry. B
|
July 21, 2006
Can octupolar molecules be poled by an external electric field?
Yaoquan Tu, Yi Luo, Hans Agren
Computational and Structural Biotechnology Journal
|
October 10, 2022
Binding modes of prothrombin cleavage site sequences to the factor Xa catalytic triad: Insights from atomistic simulations
Jiachen Li, Qi Wang, Yaoquan Tu
The Journal of Physical Chemistry. B
|
December 3, 2014
Microsecond Molecular Dynamics Simulations Provide Insight into the Allosteric Mechanism of the Gs Protein Uncoupling from the β2 Adrenergic Receptor
Xianqiang Sun, Hans Ågren, Yaoquan Tu
Scientific Reports
|
February 10, 2016
Computational studies of the binding profile of phosphoinositide PtdIns (3,4,5) P₃ with the pleckstrin homology domain of an oomycete cellulose synthase
Guanglin Kuang, Vincent Bulone, Yaoquan Tu
The Journal of Physical Chemistry. B
|
March 29, 2007
Electric field poled polymeric nonlinear optical systems: molecular dynamics simulations of poly(methyl methacrylate) doped with disperse red chromophores
Yaoquan Tu, Qiong Zhang, Hans Agren
The Journal of Physical Chemistry. B
|
July 4, 2009
Molecular dynamics and quantum chemistry study on conformations and optical properties of hydrogen bonded dipolar merocyanine dyes
Ke Zhao, Yaoquan Tu, Yi Luo
The Journal of Physical Chemistry. B
|
May 5, 2006
Molecular dynamics simulations applied to electric field induced second harmonic generation in dipolar chromophore solutions
Yaoquan Tu, Yi Luo, Hans Agren
The Journal of Physical Chemistry. B
|
August 29, 2014
Functional water molecules in rhodopsin activation
Xianqiang Sun, Hans Ågren, Yaoquan Tu
The Journal of Physical Chemistry. B
|
August 21, 2007
Molecular dynamics simulations of polycarbonate doped with Lemke chromophores
Qiong Zhang, Yaoquan Tu, He Tian, et al.
Page
of 7
Search research articles
Search
Showing results (1-10 of 64) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
February 3, 2025
RADE: A reduced approach to density-functional expansion
Yaoquan Tu, Aatto Laaksonen
The Journal of Physical Chemistry. B
|
July 21, 2006
Can octupolar molecules be poled by an external electric field?
Yaoquan Tu, Yi Luo, Hans Agren
Computational and Structural Biotechnology Journal
|
October 10, 2022
Binding modes of prothrombin cleavage site sequences to the factor Xa catalytic triad: Insights from atomistic simulations
Jiachen Li, Qi Wang, Yaoquan Tu
The Journal of Physical Chemistry. B
|
December 3, 2014
Microsecond Molecular Dynamics Simulations Provide Insight into the Allosteric Mechanism of the Gs Protein Uncoupling from the β2 Adrenergic Receptor
Xianqiang Sun, Hans Ågren, Yaoquan Tu
Scientific Reports
|
February 10, 2016
Computational studies of the binding profile of phosphoinositide PtdIns (3,4,5) P₃ with the pleckstrin homology domain of an oomycete cellulose synthase
Guanglin Kuang, Vincent Bulone, Yaoquan Tu
The Journal of Physical Chemistry. B
|
March 29, 2007
Electric field poled polymeric nonlinear optical systems: molecular dynamics simulations of poly(methyl methacrylate) doped with disperse red chromophores
Yaoquan Tu, Qiong Zhang, Hans Agren
The Journal of Physical Chemistry. B
|
July 4, 2009
Molecular dynamics and quantum chemistry study on conformations and optical properties of hydrogen bonded dipolar merocyanine dyes
Ke Zhao, Yaoquan Tu, Yi Luo
The Journal of Physical Chemistry. B
|
May 5, 2006
Molecular dynamics simulations applied to electric field induced second harmonic generation in dipolar chromophore solutions
Yaoquan Tu, Yi Luo, Hans Agren
The Journal of Physical Chemistry. B
|
August 29, 2014
Functional water molecules in rhodopsin activation
Xianqiang Sun, Hans Ågren, Yaoquan Tu
The Journal of Physical Chemistry. B
|
August 21, 2007
Molecular dynamics simulations of polycarbonate doped with Lemke chromophores
Qiong Zhang, Yaoquan Tu, He Tian, et al.
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of 7