Chengwen Liu

ResearcherID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 30

Top Venues

The journal of physical chemistry. B

Journal of chemical information and modeling

Molecules (Basel, Switzerland)

Journal of chemical theory and computation

University of Texas at Austin

Peking University (PHD)

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

Affiliation History

University of Texas at Austin Mar 01 2020

United States

Research Associate :: Biomedical Engineering

University of Texas at Austin Aug 01 2015 - Feb 28 2020

United States

Postdoctoral Fellow :: Biomedical Engineering

Education History

Peking University Sep 01 2010 - Jun 30 2015

China

PHD :: Physical Chemistry

Publications

Yanxing Wang, Théo Jaffrelot Inizan, Chengwen Liu, Jean-Philip Piquemal, Pengyu Ren
Incorporating Neural Networks into the AMOEBA Polarizable Force Field. The journal of physical chemistry. B (2024)
Xudong Yang, Chengwen Liu, Pengyu Ren
Exploring Biomolecular Conformational Dynamics with Polarizable Force Field AMOEBA and Enhanced Sampling Method Milestoning. Journal of chemical theory and computation 20 (10) (2024)
Xudong Yang, Chengwen Liu, Pengyu Ren
Exploring Biomolecular Conformational Dynamics with Polarizable Force Field AMOEBA and Enhanced Sampling Method Milestoning. Journal of chemical theory and computation (2024)
Yanxing Wang, Théo Jaffrelot Inizan, Chengwen Liu, Jean-Philip Piquemal, Pengyu Ren
Incorporating Neural Networks into the AMOEBA Polarizable Force Field. The journal of physical chemistry. B 128 (10) (2024)
Yanxing Wang, Théo Jaffrelot Inizan, Chengwen Liu, Jean-Philip Piquemal, Pengyu Ren
Incorporating Neural Networks into the AMOEBA Polarizable Force Field. The journal of physical chemistry. B 128 (10) (2024)
Xudong Yang, Chengwen Liu, Pengyu Ren
Exploring Biomolecular Conformational Dynamics with Polarizable Force Field AMOEBA and Enhanced Sampling Method Milestoning. Journal of chemical theory and computation 20 (10) (2024)
Yazdan Maghsoud, Erik Antonio Vázquez-Montelongo, Xudong Yang, Chengwen Liu, Zhifeng F Jing, Juhoon Lee, Matthew Harger, Ally K Smith, Miguel Espinoza, Hou-Fu Guo, Jonathan M Kurie, Kevin N Dalby, Pengyu Ren, Gerardo Andrés Cisneros
Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase-2 (LH2) Inhibition. Journal of chemical information and modeling 63 (3) (2023)
Elizabeth E Wait, Justin Gourary, Chengwen Liu, Erik D Spoerke, Susan L B Rempe, Pengyu Ren
Development of AMOEBA Polarizable Force Field for Rare-Earth La 3+ Interaction with Bioinspired Ligands. The journal of physical chemistry. B 127 (6) (2023)
Elizabeth E Wait, Justin Gourary, Chengwen Liu, Erik D Spoerke, Susan L B Rempe, Pengyu Ren
Development of AMOEBA Polarizable Force Field for Rare-Earth La 3+ Interaction with Bioinspired Ligands. The journal of physical chemistry. B 127 (6) (2023)
Elizabeth E Wait, Justin Gourary, Chengwen Liu, Erik D Spoerke, Susan L B Rempe, Pengyu Ren
Development of AMOEBA Polarizable Force Field for Rare-Earth La 3+ Interaction with Bioinspired Ligands. The journal of physical chemistry. B 127 (6) (2023)
Elizabeth E Wait, Justin Gourary, Chengwen Liu, Erik D Spoerke, Susan L B Rempe, Pengyu Ren
Development of AMOEBA Polarizable Force Field for Rare-Earth La 3+ Interaction with Bioinspired Ligands. The journal of physical chemistry. B 127 (6) (2023)
Elizabeth E Wait, Justin Gourary, Chengwen Liu, Erik D Spoerke, Susan L B Rempe, Pengyu Ren
Development of AMOEBA Polarizable Force Field for Rare-Earth La 3+ Interaction with Bioinspired Ligands. The journal of physical chemistry. B (2023)
Yazdan Maghsoud, Erik Antonio Vázquez-Montelongo, Xudong Yang, Chengwen Liu, Zhifeng F Jing, Juhoon Lee, Matthew Harger, Ally K Smith, Miguel Espinoza, Hou-Fu Guo, Jonathan M Kurie, Kevin N Dalby, Pengyu Ren, Gerardo Andrés Cisneros
Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase-2 (LH2) Inhibition. Journal of chemical information and modeling 63 (3) (2023)
Yazdan Maghsoud, Erik Antonio Vázquez-Montelongo, Xudong Yang, Chengwen Liu, Zhifeng F Jing, Juhoon Lee, Matthew Harger, Ally K Smith, Miguel Espinoza, Hou-Fu Guo, Jonathan M Kurie, Kevin N Dalby, Pengyu Ren, Gerardo Andrés Cisneros
Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase-2 (LH2) Inhibition. Journal of chemical information and modeling 63 (3) (2023)
Yazdan Maghsoud, Erik Antonio Vázquez-Montelongo, Xudong Yang, Chengwen Liu, Zhifeng F Jing, Juhoon Lee, Matthew Harger, Ally K Smith, Miguel Espinoza, Hou-Fu Guo, Jonathan M Kurie, Kevin N Dalby, Pengyu Ren, Gerardo Andrés Cisneros
Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase-2 (LH2) Inhibition. Journal of chemical information and modeling 63 (3) (2023)
Yanxing Wang, Brandon Duane Walker, Chengwen Liu, Pengyu Ren
An Efficient Approach to Large-Scale Ab Initio Conformational Energy Profiles of Small Molecules. Molecules (Basel, Switzerland) 27 (23) (2022)
Yanxing Wang, Brandon Duane Walker, Chengwen Liu, Pengyu Ren
An Efficient Approach to Large-Scale Ab Initio Conformational Energy Profiles of Small Molecules. Molecules (Basel, Switzerland) 27 (23) (2022)
Yanxing Wang, Brandon Duane Walker, Chengwen Liu, Pengyu Ren
An Efficient Approach to Large-Scale Ab Initio Conformational Energy Profiles of Small Molecules. Molecules (Basel, Switzerland) 27 (23) (2022)
Yanxing Wang, Brandon Duane Walker, Chengwen Liu, Pengyu Ren
An Efficient Approach to Large-Scale Ab Initio Conformational Energy Profiles of Small Molecules. Molecules (Basel, Switzerland) 27 (23) (2022)
Yanxing Wang, Brandon Duane Walker, Chengwen Liu, Pengyu Ren
An Efficient Approach to Large-Scale Ab Initio Conformational Energy Profiles of Small Molecules. Molecules (Basel, Switzerland) 27 (23) (2022)
Zhifeng F Jing, Joshua A Rackers, Lawrence R Pratt, Chengwen Liu, Susan B Rempe, Pengyu Ren
Thermodynamics of ion binding and occupancy in potassium channels. Chemical science 12 (25) (2021)
Zhifeng F Jing, Chengwen Liu, Pengyu Ren
Advanced Electrostatic Model for Monovalent Ions Based on Ab Initio Energy Decomposition. Journal of chemical information and modeling 61 (6) (2021)
Jacob M Litman, Chengwen Liu, Pengyu Ren
Atomic Polarizabilities for Interactive Dipole Induction Models. Journal of chemical information and modeling 62 (1) (2021)
Dina El Ahdab, Louis Lagardère, Théo Jaffrelot Inizan, Fréderic Célerse, Chengwen Liu, Olivier Adjoua, Luc-Henri Jolly, Nohad Gresh, Zeina Hobaika, Pengyu Ren, Richard G Maroun, Jean-Philip Piquemal
Interfacial Water Many-Body Effects Drive Structural Dynamics and Allosteric Interactions in SARS-CoV-2 Main Protease Dimerization Interface. The journal of physical chemistry letters 12 (26) (2021)
Jin-Hu Dou, Zhi-Ao Yu, Jun Zhang, Yu-Qing Zheng, Ze-Fan Yao, Zeyi Tu, Xinchang Wang, Shiliang Huang, Chengwen Liu, Junliang Sun, Yuan-Ping Yi, Haoliang Liu, Yi Qin Gao, Jie-Yu Wang, Jian Pei
Organic Semiconducting Alloys with Tunable Energy Levels. Journal of the American Chemical Society 141 (16) (2019)
Chengwen Liu, Jean-Philip Piquemal, Pengyu Ren
AMOEBA+ Classical Potential for Modeling Molecular Interactions. Journal of chemical theory and computation 15 (7) (2019)
Chengwen Liu, Jean-Philip Piquemal, Pengyu Ren
Implementation of Geometry-Dependent Charge Flux into the Polarizable AMOEBA+ Potential. The journal of physical chemistry letters 11 (2) (2019)
Zhifeng F Jing, Rui Qi, Chengwen Liu, Pengyu Ren
Study of interactions between metal ions and protein model compounds by energy decomposition analyses and the AMOEBA force field. The Journal of chemical physics 147 (16) (2018)
Rui Qi, Zhifeng F Jing, Chengwen Liu, Jean-Philip Piquemal, Kevin N Dalby, Pengyu Ren
Elucidating the Phosphate Binding Mode of Phosphate-Binding Protein: The Critical Effect of Buffer Solution. The journal of physical chemistry. B 122 (24) (2018)
Chengwen Liu, Rui Qi, Qiantao Wang, Jean-Philip Piquemal, Pengyu Ren
Capturing Many-Body Interactions with Classical Dipole Induction Models. Journal of chemical theory and computation 13 (6) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Chengwen Liu