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Journal of Chemical Theory and Computation
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July 2, 2026
BFEE-Docking: A User-Friendly and Customizable End-to-End Tool from High-Throughput Virtual Screening to Binding Free-Energy Calculations
Xiwen Sun, Zihong Li, Xueguang Shao, et al.
Journal of Chemical Information and Modeling
|
February 7, 2018
BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations
Haohao Fu, James C Gumbart, Haochuan Chen, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 23, 2018
Conformational changes of DNA induced by a trans-azobenzene derivative via non-covalent interactions
Hong Zhang, Haohao Fu, Xueguang Shao, et al.
The Journal of Physical Chemistry. B
|
September 23, 2025
Calculating Free-Energy Differences Using an Average Force: A Tutorial for Adaptive Biasing Force Simulations
Radu A Talmazan, Haohao Fu, Mengchen Zhou, et al.
Journal of Chemical Information and Modeling
|
March 17, 2025
Accurate Prediction of CRISPR/Cas13a Guide Activity Using Feature Selection and Deep Learning
Jiashun Fu, Xuyang Liu, Ruijie Deng, et al.
Journal of Chemical Information and Modeling
|
December 23, 2021
MLCV: Bridging Machine-Learning-Based Dimensionality Reduction and Free-Energy Calculation
Haochuan Chen, Han Liu, Heying Feng, et al.
Journal of Chemical Information and Modeling
|
January 13, 2026
Discovery of a Covalent Small-Molecule eEF1A1 Inhibitor via Structure-Based Virtual Screening
Yangping Deng, Sizheng Li, Liang Wang, et al.
Analytical Chemistry
|
November 13, 2019
Click RNA for Rapid Capture and Identification of Intracellular MicroRNA Targets
Pengjuan Zhang, Haohao Fu, Shuangli Du, et al.
Journal of Chemical Information and Modeling
|
May 14, 2020
Finding an Optimal Pathway on a Multidimensional Free-Energy Landscape
Haohao Fu, Haochuan Chen, Xin'ao Wang, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
December 16, 2022
Ultra-high resolution near-infrared spectrum by wavelet packet transform revealing the hydrogen bond interactions
Li Han, Yan Sun, Yan Wang, et al.
Page
of 7
Search research articles
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Showing results (41-50 of 65) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
July 2, 2026
BFEE-Docking: A User-Friendly and Customizable End-to-End Tool from High-Throughput Virtual Screening to Binding Free-Energy Calculations
Xiwen Sun, Zihong Li, Xueguang Shao, et al.
Journal of Chemical Information and Modeling
|
February 7, 2018
BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations
Haohao Fu, James C Gumbart, Haochuan Chen, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 23, 2018
Conformational changes of DNA induced by a trans-azobenzene derivative via non-covalent interactions
Hong Zhang, Haohao Fu, Xueguang Shao, et al.
The Journal of Physical Chemistry. B
|
September 23, 2025
Calculating Free-Energy Differences Using an Average Force: A Tutorial for Adaptive Biasing Force Simulations
Radu A Talmazan, Haohao Fu, Mengchen Zhou, et al.
Journal of Chemical Information and Modeling
|
March 17, 2025
Accurate Prediction of CRISPR/Cas13a Guide Activity Using Feature Selection and Deep Learning
Jiashun Fu, Xuyang Liu, Ruijie Deng, et al.
Journal of Chemical Information and Modeling
|
December 23, 2021
MLCV: Bridging Machine-Learning-Based Dimensionality Reduction and Free-Energy Calculation
Haochuan Chen, Han Liu, Heying Feng, et al.
Journal of Chemical Information and Modeling
|
January 13, 2026
Discovery of a Covalent Small-Molecule eEF1A1 Inhibitor via Structure-Based Virtual Screening
Yangping Deng, Sizheng Li, Liang Wang, et al.
Analytical Chemistry
|
November 13, 2019
Click RNA for Rapid Capture and Identification of Intracellular MicroRNA Targets
Pengjuan Zhang, Haohao Fu, Shuangli Du, et al.
Journal of Chemical Information and Modeling
|
May 14, 2020
Finding an Optimal Pathway on a Multidimensional Free-Energy Landscape
Haohao Fu, Haochuan Chen, Xin'ao Wang, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
December 16, 2022
Ultra-high resolution near-infrared spectrum by wavelet packet transform revealing the hydrogen bond interactions
Li Han, Yan Sun, Yan Wang, et al.
Page
of 7