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Molecules (Basel, Switzerland)
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August 26, 2023
Host Dynamics under General-Purpose Force Fields
Xiaohui Wang, Zhe Huai, Zhaoxi Sun
Physical Chemistry Chemical Physics : PCCP
|
March 12, 2019
BAR-based multi-dimensional nonequilibrium pulling for indirect construction of a QM/MM free energy landscape
Xiaohui Wang, Qiaole He, Zhaoxi Sun
The Journal of Physical Chemistry. B
|
February 29, 2024
Spectroscopic and Computational Study of ZnCl<sub>2</sub>-Methanol Low-Melting-Temperature Mixtures
Payam Kalhor, Zhaoxi Sun, Zhiwu Yu
Journal of Chemical Information and Modeling
|
November 24, 2021
A General Picture of Cucurbit[8]uril Host-Guest Binding
Zhaoxi Sun, Zhe Huai, Qiaole He, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 25, 2019
Theoretical understanding of the thermodynamics and interactions in transcriptional regulator TtgR-ligand binding
Zhaoxi Sun, Xiaohui Wang, John Z H Zhang
Journal of Molecular Graphics & Modelling
|
May 26, 2019
Understanding Aldose Reductase-Inhibitors interactions with free energy simulation
Zhaoxi Sun, Xiaohui Wang, Qianqian Zhao, et al.
Journal of Computer-Aided Molecular Design
|
January 25, 2020
SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations
Zhaoxi Sun, Qiaole He, Xiao Li, et al.
Journal of Computer-Aided Molecular Design
|
October 10, 2020
SAMPL7 TrimerTrip host-guest binding affinities from extensive alchemical and end-point free energy calculations
Zhe Huai, Huaiyu Yang, Xiao Li, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 25, 2019
Sulfur-substitution-induced base flipping in the DNA duplex
Zhaoxi Sun, Xiaohui Wang, John Z H Zhang, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 5, 2018
BAR-based optimum adaptive sampling regime for variance minimization in alchemical transformation: the nonequilibrium stratification
Xiaohui Wang, Xingzhao Tu, John Z H Zhang, et al.
Page
of 5
Search research articles
Search
Showing results (11-20 of 50) with videos related to
Sort By:
Page
of 5
Molecules (Basel, Switzerland)
|
August 26, 2023
Host Dynamics under General-Purpose Force Fields
Xiaohui Wang, Zhe Huai, Zhaoxi Sun
Physical Chemistry Chemical Physics : PCCP
|
March 12, 2019
BAR-based multi-dimensional nonequilibrium pulling for indirect construction of a QM/MM free energy landscape
Xiaohui Wang, Qiaole He, Zhaoxi Sun
The Journal of Physical Chemistry. B
|
February 29, 2024
Spectroscopic and Computational Study of ZnCl<sub>2</sub>-Methanol Low-Melting-Temperature Mixtures
Payam Kalhor, Zhaoxi Sun, Zhiwu Yu
Journal of Chemical Information and Modeling
|
November 24, 2021
A General Picture of Cucurbit[8]uril Host-Guest Binding
Zhaoxi Sun, Zhe Huai, Qiaole He, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 25, 2019
Theoretical understanding of the thermodynamics and interactions in transcriptional regulator TtgR-ligand binding
Zhaoxi Sun, Xiaohui Wang, John Z H Zhang
Journal of Molecular Graphics & Modelling
|
May 26, 2019
Understanding Aldose Reductase-Inhibitors interactions with free energy simulation
Zhaoxi Sun, Xiaohui Wang, Qianqian Zhao, et al.
Journal of Computer-Aided Molecular Design
|
January 25, 2020
SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations
Zhaoxi Sun, Qiaole He, Xiao Li, et al.
Journal of Computer-Aided Molecular Design
|
October 10, 2020
SAMPL7 TrimerTrip host-guest binding affinities from extensive alchemical and end-point free energy calculations
Zhe Huai, Huaiyu Yang, Xiao Li, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 25, 2019
Sulfur-substitution-induced base flipping in the DNA duplex
Zhaoxi Sun, Xiaohui Wang, John Z H Zhang, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 5, 2018
BAR-based optimum adaptive sampling regime for variance minimization in alchemical transformation: the nonequilibrium stratification
Xiaohui Wang, Xingzhao Tu, John Z H Zhang, et al.
Page
of 5