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Journal of Chemical Theory and Computation
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July 12, 2016
Extended Adaptive Biasing Force Algorithm. An On-the-Fly Implementation for Accurate Free-Energy Calculations
Haohao Fu, Xueguang Shao, Christophe Chipot, et al.
International Journal of Biological Macromolecules
|
February 14, 2025
Identification of novel inhibitors for epidermal growth factor receptor tyrosine kinase using absolute binding free-energy simulations
Huaxin Zhou, Haohao Fu, Xueguang Shao, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2015
Sonoporation at Small and Large Length Scales: Effect of Cavitation Bubble Collapse on Membranes
Haohao Fu, Jeffrey Comer, Wensheng Cai, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
March 6, 2026
Unveiling hidden intermediate states in protein folding with AI-based conditional transition clustering
Xuyang Liu, Wensheng Cai, Haohao Fu, et al.
The Journal of Physical Chemistry Letters
|
February 8, 2024
Collective Variable-Based Enhanced Sampling: From Human Learning to Machine Learning
Haohao Fu, Hengwei Bian, Xueguang Shao, et al.
Journal of Chemical Theory and Computation
|
June 9, 2021
Overcoming Free-Energy Barriers with a Seamless Combination of a Biasing Force and a Collective Variable-Independent Boost Potential
Haochuan Chen, Haohao Fu, Christophe Chipot, et al.
Journal of Chemical Theory and Computation
|
October 3, 2017
New Coarse Variables for the Accurate Determination of Standard Binding Free Energies
Haohao Fu, Wensheng Cai, Jérôme Hénin, et al.
Journal of Medicinal Chemistry
|
September 30, 2022
Meta-Analysis Reveals That Absolute Binding Free-Energy Calculations Approach Chemical Accuracy
Haohao Fu, Yan Zhou, Xiang Jing, et al.
Journal of Chemical Information and Modeling
|
August 11, 2025
SpeLL: An Agent for Natural Language-Driven Intelligent Spectral Modeling
Jiashun Fu, Xuyang Liu, Wensheng Cai, et al.
Bioinformatics (Oxford, England)
|
August 9, 2024
PGAT-ABPp: harnessing protein language models and graph attention networks for antibacterial peptide identification with remarkable accuracy
Yuelei Hao, Xuyang Liu, Haohao Fu, et al.
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of 7
Search research articles
Search
Showing results (11-20 of 64) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
July 12, 2016
Extended Adaptive Biasing Force Algorithm. An On-the-Fly Implementation for Accurate Free-Energy Calculations
Haohao Fu, Xueguang Shao, Christophe Chipot, et al.
International Journal of Biological Macromolecules
|
February 14, 2025
Identification of novel inhibitors for epidermal growth factor receptor tyrosine kinase using absolute binding free-energy simulations
Huaxin Zhou, Haohao Fu, Xueguang Shao, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2015
Sonoporation at Small and Large Length Scales: Effect of Cavitation Bubble Collapse on Membranes
Haohao Fu, Jeffrey Comer, Wensheng Cai, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
March 6, 2026
Unveiling hidden intermediate states in protein folding with AI-based conditional transition clustering
Xuyang Liu, Wensheng Cai, Haohao Fu, et al.
The Journal of Physical Chemistry Letters
|
February 8, 2024
Collective Variable-Based Enhanced Sampling: From Human Learning to Machine Learning
Haohao Fu, Hengwei Bian, Xueguang Shao, et al.
Journal of Chemical Theory and Computation
|
June 9, 2021
Overcoming Free-Energy Barriers with a Seamless Combination of a Biasing Force and a Collective Variable-Independent Boost Potential
Haochuan Chen, Haohao Fu, Christophe Chipot, et al.
Journal of Chemical Theory and Computation
|
October 3, 2017
New Coarse Variables for the Accurate Determination of Standard Binding Free Energies
Haohao Fu, Wensheng Cai, Jérôme Hénin, et al.
Journal of Medicinal Chemistry
|
September 30, 2022
Meta-Analysis Reveals That Absolute Binding Free-Energy Calculations Approach Chemical Accuracy
Haohao Fu, Yan Zhou, Xiang Jing, et al.
Journal of Chemical Information and Modeling
|
August 11, 2025
SpeLL: An Agent for Natural Language-Driven Intelligent Spectral Modeling
Jiashun Fu, Xuyang Liu, Wensheng Cai, et al.
Bioinformatics (Oxford, England)
|
August 9, 2024
PGAT-ABPp: harnessing protein language models and graph attention networks for antibacterial peptide identification with remarkable accuracy
Yuelei Hao, Xuyang Liu, Haohao Fu, et al.
Page
of 7