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Physical Chemistry Chemical Physics : PCCP
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December 24, 2021
Computer-aided design of molecular machines: techniques, paradigms and difficulties
Haohao Fu, Xueguang Shao, Wensheng Cai
Chemical Science
|
October 4, 2017
The lubricating role of water in the shuttling of rotaxanes
Haohao Fu, Xueguang Shao, Christophe Chipot, et al.
Accounts of Chemical Research
|
November 5, 2019
Taming Rugged Free Energy Landscapes Using an Average Force
Haohao Fu, Xueguang Shao, Wensheng Cai, et al.
The Journal of Physical Chemistry Letters
|
December 31, 2020
Repurposing Existing Molecular Machines through Accurate Regulation of Cooperative Motions
Haohao Fu, Christophe Chipot, Wensheng Cai, et al.
Journal of Chemical Information and Modeling
|
December 6, 2023
Binding Thermodynamics of Fourth-Generation EGFR Inhibitors Revealed by Absolute Binding Free Energy Calculations
Huaxin Zhou, Haohao Fu, Xueguang Shao, et al.
The Journal of Physical Chemistry. B
|
September 25, 2024
Overcoming Sampling Issues and Improving Computational Efficiency in Collective-Variable-Based Enhanced-Sampling Simulations: A Tutorial
Haohao Fu, Mengchen Zhou, Christophe Chipot, et al.
Journal of Chemical Information and Modeling
|
April 12, 2023
Achieving Accurate Standard Protein-Protein Binding Free Energy Calculations through the Geometrical Route and Ergodic Sampling
Haohao Fu, Christophe Chipot, Xueguang Shao, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 1, 2020
Insights into directional movement in molecular machines from free-energy calculations
Heying Feng, Haohao Fu, Xueguang Shao, et al.
The Journal of Physical Chemistry. B
|
April 4, 2024
Understanding the Reversible Binding of a Multichain Protein-Protein Complex through Free-Energy Calculations
Hengwei Bian, Xueguang Shao, Wensheng Cai, et al.
The Journal of Physical Chemistry. B
|
October 12, 2023
Standard Binding Free-Energy Calculations: How Far Are We from Automation?
Haohao Fu, Christophe Chipot, Xueguang Shao, et al.
Page
of 7
Search research articles
Search
Showing results (1-10 of 64) with videos related to
Sort By:
Page
of 7
Physical Chemistry Chemical Physics : PCCP
|
December 24, 2021
Computer-aided design of molecular machines: techniques, paradigms and difficulties
Haohao Fu, Xueguang Shao, Wensheng Cai
Chemical Science
|
October 4, 2017
The lubricating role of water in the shuttling of rotaxanes
Haohao Fu, Xueguang Shao, Christophe Chipot, et al.
Accounts of Chemical Research
|
November 5, 2019
Taming Rugged Free Energy Landscapes Using an Average Force
Haohao Fu, Xueguang Shao, Wensheng Cai, et al.
The Journal of Physical Chemistry Letters
|
December 31, 2020
Repurposing Existing Molecular Machines through Accurate Regulation of Cooperative Motions
Haohao Fu, Christophe Chipot, Wensheng Cai, et al.
Journal of Chemical Information and Modeling
|
December 6, 2023
Binding Thermodynamics of Fourth-Generation EGFR Inhibitors Revealed by Absolute Binding Free Energy Calculations
Huaxin Zhou, Haohao Fu, Xueguang Shao, et al.
The Journal of Physical Chemistry. B
|
September 25, 2024
Overcoming Sampling Issues and Improving Computational Efficiency in Collective-Variable-Based Enhanced-Sampling Simulations: A Tutorial
Haohao Fu, Mengchen Zhou, Christophe Chipot, et al.
Journal of Chemical Information and Modeling
|
April 12, 2023
Achieving Accurate Standard Protein-Protein Binding Free Energy Calculations through the Geometrical Route and Ergodic Sampling
Haohao Fu, Christophe Chipot, Xueguang Shao, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 1, 2020
Insights into directional movement in molecular machines from free-energy calculations
Heying Feng, Haohao Fu, Xueguang Shao, et al.
The Journal of Physical Chemistry. B
|
April 4, 2024
Understanding the Reversible Binding of a Multichain Protein-Protein Complex through Free-Energy Calculations
Hengwei Bian, Xueguang Shao, Wensheng Cai, et al.
The Journal of Physical Chemistry. B
|
October 12, 2023
Standard Binding Free-Energy Calculations: How Far Are We from Automation?
Haohao Fu, Christophe Chipot, Xueguang Shao, et al.
Page
of 7