Haohao Fu

ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 35

Top Venues

The journal of physical chemistry. B

Journal of chemical information and modeling

Journal of chemical theory and computation

The journal of physical chemistry letters

Nankai University

Nankai University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Nankai University Nov 15 2018

China

Research Associate & Postdoc :: Chemistry

Tianjin Lishen Battery Joint-Stock Co., Ltd. Jul 12 2018 - Sep 28 2018

China

Senior R&D Engineer :: Basic Research and Development Department

Education History

Nankai University Sep 01 2013 - Jun 01 2018

China

PHD :: Chemistry

Publications

Haohao Fu, Hengwei Bian, Xueguang Shao, Wensheng Cai
Collective Variable-Based Enhanced Sampling: From Human Learning to Machine Learning. The journal of physical chemistry letters (2024)
Haohao Fu, Hengwei Bian, Xueguang Shao, Wensheng Cai
Collective Variable-Based Enhanced Sampling: From Human Learning to Machine Learning. The journal of physical chemistry letters 15 (6) (2024)
Hengwei Bian, Xueguang Shao, Wensheng Cai, Haohao Fu
Understanding the Reversible Binding of a Multichain Protein-Protein Complex through Free-Energy Calculations. The journal of physical chemistry. B (2024)
Xuyang Liu, Jingya Xing, Haohao Fu, Xueguang Shao, Wensheng Cai
Analyzing Molecular Dynamics Trajectories Thermodynamically through Artificial Intelligence. Journal of chemical theory and computation 20 (2) (2024)
Xuyang Liu, Jingya Xing, Haohao Fu, Xueguang Shao, Wensheng Cai
Analyzing Molecular Dynamics Trajectories Thermodynamically through Artificial Intelligence. Journal of chemical theory and computation (2024)
Haohao Fu, Hengwei Bian, Xueguang Shao, Wensheng Cai
Collective Variable-Based Enhanced Sampling: From Human Learning to Machine Learning. The journal of physical chemistry letters 15 (6) (2024)
Hengwei Bian, Xueguang Shao, Wensheng Cai, Haohao Fu
Understanding the Reversible Binding of a Multichain Protein-Protein Complex through Free-Energy Calculations. The journal of physical chemistry. B 128 (15) (2024)
Xuyang Liu, Jingya Xing, Haohao Fu, Xueguang Shao, Wensheng Cai
Analyzing Molecular Dynamics Trajectories Thermodynamically through Artificial Intelligence. Journal of chemical theory and computation 20 (2) (2024)
Hengwei Bian, Xueguang Shao, Wensheng Cai, Haohao Fu
Understanding the Reversible Binding of a Multichain Protein-Protein Complex through Free-Energy Calculations. The journal of physical chemistry. B 128 (15) (2024)
Haohao Fu, Han Liu, Jingya Xing, Tong Zhao, Xueguang Shao, Wensheng Cai
Deep-Learning-Assisted Enhanced Sampling for Exploring Molecular Conformational Changes. The journal of physical chemistry. B (2023)
Haohao Fu, Christophe J Chipot, Xueguang Shao, Wensheng Cai
Standard Binding Free-Energy Calculations: How Far Are We from Automation? The journal of physical chemistry. B (2023)
Huaxin Zhou, Haohao Fu, Xueguang Shao, Wensheng Cai
Binding Thermodynamics of Fourth-Generation EGFR Inhibitors Revealed by Absolute Binding Free Energy Calculations. Journal of chemical information and modeling (2023)
Haohao Fu, Christophe J Chipot, Xueguang Shao, Wensheng Cai
Achieving Accurate Standard Protein-Protein Binding Free Energy Calculations through the Geometrical Route and Ergodic Sampling. Journal of chemical information and modeling (2023)
Jiarong Cai, An-An Liu, Xue-Hui Shi, Haohao Fu, Wei Zhao, Liguang Xu, Hua Kuang, Chuanlai Xu, Dai-Wen Pang
Enhancing Circularly Polarized Luminescence in Quantum Dots through Chiral Coordination-Mediated Growth at the Liquid/Liquid Interface. Journal of the American Chemical Society (2023)
Weijia Zhang, Han Liu, Haohao Fu, Xueguang Shao, Wensheng Cai
Revealing the Mechanism of Irreversible Binding of Antifreeze Glycoproteins to Ice. The journal of physical chemistry. B 126 (50) (2022)
Weijia Zhang, Han Liu, Haohao Fu, Xueguang Shao, Wensheng Cai
Revealing the Mechanism of Irreversible Binding of Antifreeze Glycoproteins to Ice. The journal of physical chemistry. B 126 (50) (2022)
Han Liu, Haohao Fu, Christophe J Chipot, Xueguang Shao, Wensheng Cai
Accurate Description of Solvent-Exposed Salt Bridges with a Non-polarizable Force Field Incorporating Solvent Effects. Journal of chemical information and modeling 62 (16) (2022)
Weijia Zhang, Han Liu, Haohao Fu, Xueguang Shao, Wensheng Cai
Revealing the Mechanism of Irreversible Binding of Antifreeze Glycoproteins to Ice. The journal of physical chemistry. B 126 (50) (2022)
Weijia Zhang, Han Liu, Haohao Fu, Xueguang Shao, Wensheng Cai
Revealing the Mechanism of Irreversible Binding of Antifreeze Glycoproteins to Ice. The journal of physical chemistry. B (2022)
Haohao Fu, Xueguang Shao, Wensheng Cai
Computer-aided design of molecular machines: techniques, paradigms and difficulties. Physical chemistry chemical physics : PCCP 24 (3) (2022)
Haohao Fu, Yan Zhou, Xiang Jing, Xueguang Shao, Wensheng Cai
Meta-Analysis Reveals That Absolute Binding Free-Energy Calculations Approach Chemical Accuracy. Journal of medicinal chemistry 65 (19) (2022)
Han Liu, Haohao Fu, Christophe J Chipot, Xueguang Shao, Wensheng Cai
Accuracy of Alternate Nonpolarizable Force Fields for the Determination of Protein-Ligand Binding Affinities Dominated by Cation-π Interactions. Journal of chemical theory and computation 17 (7) (2021)
Haochuan Chen, Haohao Fu, Christophe J Chipot, Xueguang Shao, Wensheng Cai
Overcoming Free-Energy Barriers with a Seamless Combination of a Biasing Force and a Collective Variable-Independent Boost Potential. Journal of chemical theory and computation 17 (7) (2021)
Haochuan Chen, Han Liu, Heying Feng, Haohao Fu, Wensheng Cai, Xueguang Shao, Christophe J Chipot
MLCV: Bridging Machine-Learning-Based Dimensionality Reduction and Free-Energy Calculation. Journal of chemical information and modeling 62 (1) (2021)
Haohao Fu, Haochuan Chen, Wensheng Cai, Xueguang Shao, Christophe J Chipot
BFEE2: Automated, Streamlined, and Accurate Absolute Binding Free-Energy Calculations. Journal of chemical information and modeling 61 (5) (2021)
Heying Feng, Haohao Fu, Xueguang Shao, Wensheng Cai
Insights into directional movement in molecular machines from free-energy calculations. Physical chemistry chemical physics : PCCP 22 (15) (2020)
Haohao Fu, Christophe J Chipot, Wensheng Cai, Xueguang Shao
Repurposing Existing Molecular Machines through Accurate Regulation of Cooperative Motions. The journal of physical chemistry letters 12 (1) (2020)
Haohao Fu, Haochuan Chen, Xin'ao Wang, Hao Chai, Xueguang Shao, Wensheng Cai, Christophe J Chipot
Finding an Optimal Pathway on a Multidimensional Free-Energy Landscape. Journal of chemical information and modeling 60 (11) (2020)
Bo Dong, Shuangli Du, Chunxiao Wang, Haohao Fu, Qiang Li, Nannan Xiao, Jie Yang, Xue Xue, Wensheng Cai, Dingbin Liu
Reversible Self-Assembly of Nanoprobes in Live Cells for Dynamic Intracellular pH Imaging. ACS nano 13 (2) (2019)
Zhiyou Zong, Qiyu Li, Zhangyong Hong, Haohao Fu, Wensheng Cai, Christophe J Chipot, Huifeng Jiang, Dongyuan Zhang, Shulin Chen, Xueguang Shao
Lysine Mutation of the Claw-Arm-Like Loop Accelerates Catalysis by Cellobiohydrolases. Journal of the American Chemical Society 141 (36) (2019)
Pengjuan Zhang, Haohao Fu, Shuangli Du, Fengchao Wang, Jie Yang, Wensheng Cai, Dingbin Liu
Click RNA for Rapid Capture and Identification of Intracellular MicroRNA Targets. Analytical chemistry 91 (24) (2019)
Hong Zhang, Haohao Fu, Xueguang Shao, François Dehez, Christophe J Chipot, Wensheng Cai
Changes in Microenvironment Modulate the B- to A-DNA Transition. Journal of chemical information and modeling 59 (5) (2019)
Shuangli Du, Haohao Fu, Xueguang Shao, Christophe J Chipot, Wensheng Cai
Addressing Polarization Phenomena in Molecular Machines Containing Transition Metal Ions with an Additive Force Field. Journal of chemical theory and computation 15 (3) (2019)
Haohao Fu, Xueguang Shao, Wensheng Cai, Christophe J Chipot
Taming Rugged Free Energy Landscapes Using an Average Force. Accounts of chemical research 52 (11) (2019)
Haohao Fu, Hong Zhang, Haochuan Chen, Xueguang Shao, Christophe J Chipot, Wensheng Cai
Zooming across the Free-Energy Landscape: Shaving Barriers, and Flooding Valleys. The journal of physical chemistry letters 9 (16) (2018)

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Publication Activity (10 Years)

Top Topics

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Haohao Fu