Qiang Cui

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 123

Top Venues

Proceedings of the National Academy of Sciences of the United States of America

Journal of the American Chemical Society

The journal of physical chemistry. B

The journal of physical chemistry letters

University of Wisconsin Madison

Emory University (PHD)

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

Affiliation History

University of Wisconsin Madison Aug 01 2001 - Dec 31 2017

United States

Professor of Chemistry :: Chemistry

Education History

Emory University Aug 10 1993 - Sep 10 1997

United States

PHD :: Chemistry

Publications

Ivan Corbeski, Pablo Andrés Vargas-Rosales, Rajiv Kumar Bedi, Jiahua Deng, Dylan Coelho, Emmanuelle Braud, Laura Iannazzo, Yaozong Li, Danzhi Huang, Mélanie Ethève-Quelquejeu, Qiang Cui, Amedeo Caflisch
The catalytic mechanism of the RNA methyltransferase METTL3. eLife 12 (2024)
Zhuang Liu, Thomas G Gillis, Srivatsan Raman, Qiang Cui
A parameterized two-domain thermodynamic model explains diverse mutational effects on protein allostery. eLife 12 (2024)
Zhuang Liu, Thomas G Gillis, Srivatsan Raman, Qiang Cui
A parameterized two-domain thermodynamic model explains diverse mutational effects on protein allostery. eLife 12 (2024)
Jiahua Deng, Yuchen Yuan, Qiang Cui
Modulation of Allostery with Multiple Mechanisms by Hotspot Mutations in TetR. Journal of the American Chemical Society 146 (4) (2024)
Edoardo Donadoni, Paulo Siani, Giulia Frigerio, Carolina Milani, Qiang Cui, Cristiana Di Valentin
The effect of polymer coating on nanoparticles' interaction with lipid membranes studied by coarse-grained molecular dynamics simulations. Nanoscale (2024)
Nikunj Mehta, Sayantan Mondal, Emma T Watson, Qiang Cui, Edwin R Chapman
The juxtamembrane linker of synaptotagmin 1 regulates Ca 2+ binding via liquid-liquid phase separation. Nature communications 15 (1) (2024)
Qing Xia, Harini A Perera, Rylie Bolarinho, Zeke A Piskulich, Zhongyue Guo, Jiaze Yin, Hongjian He, Mingsheng Li, Xiaowei Ge, Qiang Cui, Olof Ramström, Mingdi Yan, Ji-Xin Cheng
Click-free imaging of carbohydrate trafficking in live cells using an azido photothermal probe. bioRxiv : the preprint server for biology (2024)
Nikunj Mehta, Sayantan Mondal, Emma T Watson, Qiang Cui, Edwin R Chapman
The juxtamembrane linker of synaptotagmin 1 regulates Ca 2+ binding via liquid-liquid phase separation. Nature communications 15 (1) (2024)
Jiahua Deng, Qiang Cui
Electronic Polarization Leads to a Drier Dewetted State for Hydrophobic Gating in the Big Potassium Channel. The journal of physical chemistry letters 15 (29) (2024)
Jiahua Deng, Yuchen Yuan, Qiang Cui
Modulation of Allostery with Multiple Mechanisms by Hotspot Mutations in TetR. Journal of the American Chemical Society 146 (4) (2024)
Jiahua Deng, Qiang Cui
Efficient Sampling of Cavity Hydration in Proteins with Nonequilibrium Grand Canonical Monte Carlo and Polarizable Force Fields. Journal of chemical theory and computation 20 (5) (2024)
Jiahua Deng, Qiang Cui
Electronic Polarization Leads to a Drier Dewetted State for Hydrophobic Gating in the Big Potassium Channel. The journal of physical chemistry letters (2024)
Jiahua Deng, Qiang Cui
Efficient Sampling of Cavity Hydration in Proteins with Nonequilibrium Grand Canonical Monte Carlo and Polarizable Force Fields. Journal of chemical theory and computation 20 (5) (2024)
Qing Xia, Harini A Perera, Rylie Bolarinho, Zeke A Piskulich, Zhongyue Guo, Jiaze Yin, Hongjian He, Mingsheng Li, Xiaowei Ge, Qiang Cui, Olof Ramström, Mingdi Yan, Ji-Xin Cheng
Click-free imaging of carbohydrate trafficking in live cells using an azido photothermal probe. Science advances 10 (34) (2024)
Jiahua Deng, Qiang Cui
Electronic Polarization Leads to a Drier Dewetted State for Hydrophobic Gating in the Big Potassium Channel. The journal of physical chemistry letters 15 (29) (2024)
Nikunj Mehta, Sayantan Mondal, Emma T Watson, Qiang Cui, Edwin R Chapman
The juxtamembrane linker of synaptotagmin 1 regulates Ca 2+ binding via liquid-liquid phase separation. Nature communications 15 (1) (2024)
Edoardo Donadoni, Paulo Siani, Giulia Frigerio, Carolina Milani, Qiang Cui, Cristiana Di Valentin
The effect of polymer coating on nanoparticles' interaction with lipid membranes studied by coarse-grained molecular dynamics simulations. Nanoscale 16 (18) (2024)
Zhuang Liu, Thomas G Gillis, Srivatsan Raman, Qiang Cui
A parameterized two-domain thermodynamic model explains diverse mutational effects on protein allostery. eLife 12 (2024)
Sanjoy Paul, Anjon Audhya, Qiang Cui
Delineating the shape of COat Protein complex-II coated membrane bud. PNAS nexus 3 (8) (2024)
Ivan Corbeski, Pablo Andrés Vargas-Rosales, Rajiv Kumar Bedi, Jiahua Deng, Dylan Coelho, Emmanuelle Braud, Laura Iannazzo, Yaozong Li, Danzhi Huang, Mélanie Ethève-Quelquejeu, Qiang Cui, Amedeo Caflisch
The catalytic mechanism of the RNA methyltransferase METTL3. eLife 12 (2024)
Jiahua Deng, Yuchen Yuan, Qiang Cui
Modulation of Allostery with Multiple Mechanisms by Hotspot Mutations in TetR. Journal of the American Chemical Society 146 (4) (2024)
Qing Xia, Harini A Perera, Rylie Bolarinho, Zeke A Piskulich, Zhongyue Guo, Jiaze Yin, Hongjian He, Mingsheng Li, Xiaowei Ge, Qiang Cui, Olof Ramström, Mingdi Yan, Ji-Xin Cheng
Click-free imaging of carbohydrate trafficking in live cells using an azido photothermal probe. bioRxiv : the preprint server for biology (2024)
Qing Xia, Harini A Perera, Rylie Bolarinho, Zeke A Piskulich, Zhongyue Guo, Jiaze Yin, Hongjian He, Mingsheng Li, Xiaowei Ge, Qiang Cui, Olof Ramström, Mingdi Yan, Ji-Xin Cheng
Click-free imaging of carbohydrate trafficking in live cells using an azido photothermal probe. Science advances 10 (34) (2024)
Rui Lai, Guo-Hui Li, Qiang Cui
Flexibility of Binding Site is Essential to the Ca 2+ Selectivity in EF-Hand Calcium-Binding Proteins. Journal of the American Chemical Society 146 (11) (2024)
Rui Lai, Guo-Hui Li, Qiang Cui
Flexibility of Binding Site is Essential to the Ca 2+ Selectivity in EF-Hand Calcium-Binding Proteins. Journal of the American Chemical Society 146 (11) (2024)
Sanjoy Paul, Sayantan Mondal, Irina Shenogina, Qiang Cui
The molecular basis for the increased stability of the FUS-LC fibril at the anionic membrane- and air-water interfaces. Chemical science 15 (34) (2024)
Jiahua Deng, Yuchen Yuan, Qiang Cui
Modulation of Allostery with Multiple Mechanisms by Hotspot Mutations in TetR. Journal of the American Chemical Society 146 (4) (2024)
Rui Lai, Guo-Hui Li, Qiang Cui
Flexibility of Binding Site is Essential to the Ca 2+ Selectivity in EF-Hand Calcium-Binding Proteins. Journal of the American Chemical Society 146 (11) (2024)
Nikunj Mehta, Sayantan Mondal, Emma T Watson, Qiang Cui, Edwin R Chapman
The juxtamembrane linker of synaptotagmin 1 regulates Ca 2+ binding via liquid-liquid phase separation. Nature communications 15 (1) (2024)
Nikunj Mehta, Sayantan Mondal, Emma T Watson, Qiang Cui, Edwin R Chapman
The juxtamembrane linker of synaptotagmin 1 regulates Ca 2+ binding via liquid-liquid phase separation. Nature communications 15 (1) (2024)
Sayantan Mondal, Qiang Cui
Sequence Sensitivity in Membrane Remodeling by Polyampholyte Condensates. The journal of physical chemistry. B (2024)
Jiahua Deng, Yuchen Yuan, Qiang Cui
Modulation of Allostery with Multiple Mechanisms by Hotspot Mutations in TetR. Journal of the American Chemical Society (2024)
Qing Xia, Harini A Perera, Rylie Bolarinho, Zeke A Piskulich, Zhongyue Guo, Jiaze Yin, Hongjian He, Mingsheng Li, Xiaowei Ge, Qiang Cui, Olof Ramström, Mingdi Yan, Ji-Xin Cheng
Click-free imaging of carbohydrate trafficking in live cells using an azido photothermal probe. Science advances 10 (34) (2024)
Qing Xia, Harini A Perera, Rylie Bolarinho, Zeke A Piskulich, Zhongyue Guo, Jiaze Yin, Hongjian He, Mingsheng Li, Xiaowei Ge, Qiang Cui, Olof Ramström, Mingdi Yan, Ji-Xin Cheng
Click-free imaging of carbohydrate trafficking in live cells using an azido photothermal probe. bioRxiv : the preprint server for biology (2024)
Sayantan Mondal, Qiang Cui
Sequence Sensitivity in Membrane Remodeling by Polyampholyte Condensates. The journal of physical chemistry. B 128 (9) (2024)
Jiahua Deng, Yuchen Yuan, Qiang Cui
Modulation of Allostery with Multiple Mechanisms by Hotspot Mutations in TetR. Journal of the American Chemical Society (2024)
Rui Lai, Guo-Hui Li, Qiang Cui
Flexibility of Binding Site is Essential to the Ca 2+ Selectivity in EF-Hand Calcium-Binding Proteins. Journal of the American Chemical Society (2024)
Qing Xia, Harini A Perera, Rylie Bolarinho, Zeke A Piskulich, Zhongyue Guo, Jiaze Yin, Hongjian He, Mingsheng Li, Xiaowei Ge, Qiang Cui, Olof Ramström, Mingdi Yan, Ji-Xin Cheng
Click-free imaging of carbohydrate trafficking in live cells using an azido photothermal probe. bioRxiv : the preprint server for biology (2024)
Sanjoy Paul, Anjon Audhya, Qiang Cui
Delineating the shape of COat Protein complex-II coated membrane bud. PNAS nexus 3 (8) (2024)
Rui Lai, Guo-Hui Li, Qiang Cui
Flexibility of Binding Site is Essential to the Ca 2+ Selectivity in EF-Hand Calcium-Binding Proteins. Journal of the American Chemical Society 146 (11) (2024)
Nikunj Mehta, Sayantan Mondal, Emma T Watson, Qiang Cui, Edwin R Chapman
The juxtamembrane linker of synaptotagmin 1 regulates Ca 2+ binding via liquid-liquid phase separation. Nature communications 15 (1) (2024)
Sanjoy Paul, Anjon Audhya, Qiang Cui
Delineating the shape of COat Protein complex-II coated membrane bud. PNAS nexus 3 (8) (2024)
Zhuang Liu, Thomas G Gillis, Srivatsan Raman, Qiang Cui
A parameterized two-domain thermodynamic model explains diverse mutational effects on protein allostery. eLife 12 (2024)
Wonmuk Hwang, Steven L Austin, Arnaud Blondel, Eric D Boittier, Stefan Boresch, Matthias Buck, Joshua Buckner, Amedeo Caflisch, Hao-Ting Chang, Xi Cheng, Yeol Kyo Choi, Jhih-Wei Chu, Michael F Crowley, Qiang Cui, Ana Damjanovic, Yuqing Deng, Michael Devereux, Xinqiang Ding, Michael F Feig, Jiali Gao, David R Glowacki, James E Gonzales, Mehdi Bagerhi Hamaneh, Edward D Harder, Ryan L Hayes, Jing Huang, Yandong Huang, Phillip S Hudson, Wonpil Im, Shahidul M Islam, Wei Jiang, Michael R Jones, Silvan Käser, Fiona L Kearns, Nathan R Kern, Jeffery B Klauda, Themis Lazaridis, Jinhyuk Lee, Justin A Lemkul, Xiaorong Liu, Yun Lyna Luo, Alexander D MacKerell, Dan Thomas Major, Markus Meuwly, Kwangho Nam, Lennart Nilsson, Victor Ovchinnikov, Emanuele Paci, Soohyung Park, Richard W Pastor, Amanda R Pittman, Carol Beth Post, Samarjeet Prasad, Jingzhi Pu, John Z H Zhang, Thenmalarchelvi Rathinavelan, Daniel R Roe, Benoı T Roux, Christopher N Rowley, Jana Shen, Andrew C Simmonett, Alexander J Sodt, Kai Töpfer, Meenu Upadhyay, Arjan van der Vaart, Luis Itza Vazquez-Salazar, Richard M Venable, Luke C Warrensford, H Lee Woodcock, Yujin Wu, Charles L Brooks Iii, Bernard R Brooks, Martin Karplus
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed. The journal of physical chemistry. B (2024)
Jiahua Deng, Qiang Cui
Efficient Sampling of Cavity Hydration in Proteins with Nonequilibrium Grand Canonical Monte Carlo and Polarizable Force Fields. Journal of chemical theory and computation (2024)
Jiahua Deng, Qiang Cui
Electronic Polarization Leads to a Drier Dewetted State for Hydrophobic Gating in the Big Potassium Channel. The journal of physical chemistry letters 15 (29) (2024)
Jiahua Deng, Yuchen Yuan, Qiang Cui
Modulation of Allostery with Multiple Mechanisms by Hotspot Mutations in TetR. Journal of the American Chemical Society 146 (4) (2024)
Rui Lai, Guo-Hui Li, Qiang Cui
Flexibility of Binding Site is Essential to the Ca 2+ Selectivity in EF-Hand Calcium-Binding Proteins. Journal of the American Chemical Society 146 (11) (2024)
Sayantan Mondal, Qiang Cui
Sequence Sensitivity in Membrane Remodeling by Polyampholyte Condensates. The journal of physical chemistry. B 128 (9) (2024)
Ivan Corbeski, Pablo Andrés Vargas-Rosales, Rajiv Kumar Bedi, Jiahua Deng, Dylan Coelho, Emmanuelle Braud, Laura Iannazzo, Yaozong Li, Danzhi Huang, Mélanie Ethève-Quelquejeu, Qiang Cui, Amedeo Caflisch
The catalytic mechanism of the RNA methyltransferase METTL3. eLife 12 (2024)
Jiahua Deng, Yuchen Yuan, Qiang Cui
Modulation of Allostery with Multiple Mechanisms by Hotspot Mutations in TetR. bioRxiv : the preprint server for biology (2023)
Sayantan Mondal, Qiang Cui
Coacervation-Induced Remodeling of Nanovesicles. The journal of physical chemistry letters 14 (19) (2023)
Zhuang Liu, Thomas Gillis, Srivatsan Raman, Qiang Cui
A parametrized two-domain thermodynamic model explains diverse mutational effects on protein allostery. bioRxiv : the preprint server for biology (2023)
Ivan Corbeski, Pablo Andrés Vargas-Rosales, Rajiv Kumar Bedi, Jiahua Deng, Dylan Coelho, Emmanuelle Braud, Laura Iannazzo, Yaozong Li, Danzhi Huang, Mélanie Ethève-Quelquejeu, Qiang Cui, Amedeo Caflisch
The catalytic mechanism of the RNA methyltransferase METTL3. bioRxiv : the preprint server for biology (2023)
Sanjoy Paul, Anjon Audhya, Qiang Cui
Molecular mechanism of GTP binding- and dimerization-induced enhancement of Sar1-mediated membrane remodeling. Proceedings of the National Academy of Sciences of the United States of America 120 (8) (2023)
Van Quan Vuong, Qiang Cui
Reparameterization of the chemical-potential equalization model with DFTB3: A practical balance between accuracy and transferability. The Journal of chemical physics 158 (6) (2023)
Sanjoy Paul, Anjon Audhya, Qiang Cui
Molecular mechanism of GTP binding- and dimerization-induced enhancement of Sar1-mediated membrane remodeling. Proceedings of the National Academy of Sciences of the United States of America 120 (8) (2023)
Sanjoy Paul, Anjon Audhya, Qiang Cui
Molecular mechanism of GTP binding- and dimerization-induced enhancement of Sar1-mediated membrane remodeling. Proceedings of the National Academy of Sciences of the United States of America 120 (8) (2023)
Jiahua Deng, Qiang Cui
Second-Shell Residues Contribute to Catalysis by Predominately Preorganizing the Apo State in PafA. Journal of the American Chemical Society (2023)
Sanjoy Paul, Anjon Audhya, Qiang Cui
Molecular mechanism of GTP binding- and dimerization-induced enhancement of Sar1-mediated membrane remodeling. Proceedings of the National Academy of Sciences of the United States of America 120 (8) (2023)
Nikunj Mehta, Sayantan Mondal, Emma T Watson, Qiang Cui, Edwin R Chapman
The juxtamembrane linker of synaptotagmin 1 regulates Ca 2+ binding via liquid-liquid phase separation. bioRxiv : the preprint server for biology (2023)
Sayantan Mondal, Qiang Cui
Coacervation-Induced Remodeling of Nanovesicles. The journal of physical chemistry letters (2023)
Van Quan Vuong, Qiang Cui
Reparameterization of the chemical-potential equalization model with DFTB3: A practical balance between accuracy and transferability. The Journal of chemical physics 158 (6) (2023)
Yuchen Yuan, Qiang Cui
Accurate and Efficient Multilevel Free Energy Simulations with Neural Network-Assisted Enhanced Sampling. Journal of chemical theory and computation (2023)
Sayantan Mondal, Qiang Cui
Coacervation-Induced Remodeling of Nanovesicles. The journal of physical chemistry letters 14 (19) (2023)
Cheng-Guo Wu, Vijaya K Balakrishnan, Ronald A Merrill, Pankaj Singh Parihar, Kirill Konovolov, Yu-Chia Chen, Zhen Xu, Hui Wei, Ramya Sundaresan, Qiang Cui, Brian E Wadzinski, Mark R Swingle, Alla Musiyenko, Wendy K Chung, Richard E Honkanen, Aussie Suzuki, Xuhui Huang, Stefan Strack, Yongna Xing
B56δ long-disordered arms form a dynamic PP2A regulation interface coupled with global allostery and Jordan's syndrome mutations. Proceedings of the National Academy of Sciences of the United States of America 121 (1) (2023)
Cheng-Guo Wu, Vijaya K Balakrishnan, Ronald A Merrill, Pankaj Singh Parihar, Kirill Konovolov, Yu-Chia Chen, Zhen Xu, Hui Wei, Ramya Sundaresan, Qiang Cui, Brian E Wadzinski, Mark R Swingle, Alla Musiyenko, Wendy K Chung, Richard E Honkanen, Aussie Suzuki, Xuhui Huang, Stefan Strack, Yongna Xing
B56δ long-disordered arms form a dynamic PP2A regulation interface coupled with global allostery and Jordan's syndrome mutations. Proceedings of the National Academy of Sciences of the United States of America 121 (1) (2023)
Van Quan Vuong, Bálint Aradi, Anders M N Niklasson, Qiang Cui, Stephan Irle
Multipole Expansion of Atomic Electron Density Fluctuation Interactions in the Density-Functional Tight-Binding Method. Journal of chemical theory and computation (2023)
Zhuang Liu, Arun Yethiraj, Qiang Cui
Sensitive and selective polymer condensation at membrane surface driven by positive co-operativity. Proceedings of the National Academy of Sciences of the United States of America 120 (15) (2023)
Cheng-Guo Wu, Vijaya K Balakrishnan, Ronald A Merrill, Pankaj Singh Parihar, Kirill Konovolov, Yu-Chia Chen, Zhen Xu, Hui Wei, Ramya Sundaresan, Qiang Cui, Brian E Wadzinski, Mark R Swingle, Alla Musiyenko, Wendy K Chung, Richard E Honkanen, Aussie Suzuki, Xuhui Huang, Stefan Strack, Yongna Xing
B56δ long-disordered arms form a dynamic PP2A regulation interface coupled with global allostery and Jordan's syndrome mutations. Proceedings of the National Academy of Sciences of the United States of America 121 (1) (2023)
Cheng-Guo Wu, Vijaya K Balakrishnan, Ronald A Merrill, Pankaj Singh Parihar, Kirill Konovolov, Yu-Chia Chen, Zhen Xu, Hui Wei, Ramya Sundaresan, Qiang Cui, Brian E Wadzinski, Mark R Swingle, Alla Musiyenko, Wendy K Chung, Richard E Honkanen, Aussie Suzuki, Xuhui Huang, Stefan Strack, Yongna Xing
B56δ long-disordered arms form a dynamic PP2A regulation interface coupled with global allostery and Jordan's syndrome mutations. Proceedings of the National Academy of Sciences of the United States of America 121 (1) (2023)
Sanjoy Paul, Anjon Audhya, Qiang Cui
Molecular mechanism of GTP binding- and dimerization-induced enhancement of Sar1-mediated membrane remodeling. Proceedings of the National Academy of Sciences of the United States of America 120 (8) (2023)
Cheng-Guo Wu, Vijaya K Balakrishnan, Ronald A Merrill, Pankaj Singh Parihar, Kirill Konovolov, Yu-Chia Chen, Zhen Xu, Hui Wei, Ramya Sundaresan, Qiang Cui, Brian E Wadzinski, Mark R Swingle, Alla Musiyenko, Wendy K Chung, Richard E Honkanen, Aussie Suzuki, Xuhui Huang, Stefan Strack, Yongna Xing
B56δ long-disordered arms form a dynamic PP2A regulation interface coupled with global allostery and Jordan's syndrome mutations. Proceedings of the National Academy of Sciences of the United States of America 121 (1) (2023)
Laura A Kesner, Zeke A Piskulich, Qiang Cui, Zeev Rosenzweig
Untangling the Interactions between Anionic Polystyrene Nanoparticles and Lipid Membranes Using Laurdan Fluorescence Spectroscopy and Molecular Simulations. Journal of the American Chemical Society (2023)
Younghoon Oh, Qiang Cui
Non-equilibrium transport of nanoparticles across the lipid membrane. Nanoscale (2023)
Juan Zeng, Jian Chen, Fei Xia, Qiang Cui, Xianming Deng, Xin Xu
Identification of functional substates of KRas during GTP hydrolysis with enhanced sampling simulations. Physical chemistry chemical physics : PCCP 24 (13) (2022)
Megan Leander, Zhuang Liu, Qiang Cui, Srivatsan Raman
Deep mutational scanning and machine learning reveal structural and molecular rules governing allosteric hotspots in homologous proteins. eLife 11 (2022)
Xiaoxiao Yao, Yinhan Wang, Fangjia Li, Joseph J Dalluge, Galya Orr, Rigoberto Hernandez, Qiang Cui, Christy L Haynes
Unconventional aliphatic fluorophores discovered as the luminescence origin in citric acid-urea carbon dots. Nanoscale 14 (26) (2022)
Dongyue Liang, Juan Liu, Hendrik Heinz, Sara E Mason, Robert John Hamers, Qiang Cui
Binding of polar and hydrophobic molecules at the LiCoO 2 (001)-water interface: force field development and molecular dynamics simulations. Nanoscale 14 (18) (2022)
Yuqing Xiong, Juan Zeng, Fei Xia, Qiang Cui, Xianming Deng, Xin Xu
Conformations and binding pockets of HRas and its guanine nucleotide exchange factors complexes in the guanosine triphosphate exchange process. Journal of computational chemistry 43 (13) (2022)
Zeke A Piskulich, Qiang Cui
Machine Learning-Assisted Phase Transition Temperatures from Generalized Replica Exchange Simulations of Dry Martini Lipid Bilayers. The journal of physical chemistry letters 13 (28) (2022)
D Kirk Lewis, Younghoon Oh, Luke Nambi Mohanam, Michał Wierzbicki, Nicole L Ing, Lei Gu, Allon I Hochbaum, Ruqian Wu, Qiang Cui, Sahar Sharifzadeh
Electronic Structure of de Novo Peptide ACC-Hex from First Principles. The journal of physical chemistry. B (2022)
Yuchen Yuan, Jiahua Deng, Qiang Cui
Molecular Dynamics Simulations Establish the Molecular Basis for the Broad Allostery Hotspot Distributions in the Tetracycline Repressor. Journal of the American Chemical Society 144 (24) (2022)
Jiahua Deng, Qiang Cui
Electronic Polarization Is Essential for the Stabilization and Dynamics of Buried Ion Pairs in Staphylococcal Nuclease Mutants. Journal of the American Chemical Society 144 (10) (2022)
Darren Demapan, Jörg Kussmann, Christian Ochsenfeld, Qiang Cui
Factors That Determine the Variation of Equilibrium and Kinetic Properties of QM/MM Enzyme Simulations: QM Region, Conformation, and Boundary Condition. Journal of chemical theory and computation 18 (4) (2022)
Rui Lai, Qiang Cui
How to Stabilize Carbenes in Enzyme Active Sites without Metal Ions. Journal of the American Chemical Society 144 (45) (2022)
Yi Dong, Lei Fu, Junjie Song, Shan Zhang, Xiangyuan Li, Wei-Hai Fang, Qiang Cui, Lianghui Gao
Thermodynamic Driving Forces for Divalent Cations Binding to Zwitterionic Phospholipid Membranes. The journal of physical chemistry letters 13 (48) (2022)
Sayantan Mondal, Qiang Cui
Coacervation of poly-electrolytes in the presence of lipid bilayers: mutual alteration of structure and morphology. Chemical science 13 (26) (2022)
Jiahua Deng, Qiang Cui
Reverse Protonation of Buried Ion-Pairs in Staphylococcal Nuclease Mutants. Journal of chemical theory and computation 17 (7) (2021)
Yongqian Zhang, Udaya Dahal, Z Vivian Feng, Zeev Rosenzweig, Qiang Cui, Robert John Hamers
Influence of Surface Ligand Molecular Structure on Phospholipid Membrane Disruption by Cationic Nanoparticles. Langmuir : the ACS journal of surfaces and colloids 37 (24) (2021)
Denis Maag, Thilo Mast, Marcus Elstner, Qiang Cui, Tomáš Kubař
O to bR transition in bacteriorhodopsin occurs through a proton hole mechanism. Proceedings of the National Academy of Sciences of the United States of America 118 (39) (2021)
Heather Abbott-Lyon, Carlos R Baiz, Partha P Bera, Kyle N Crabtree, Qiang Cui, Ryan C Fortenberry, Christy F Landes, Anne B McCoy, Rodrigo Noriega, David E Woon
Viewpoint on ACS PHYS Division Sponsored Virtual Seminars. The journal of physical chemistry. B 125 (8) (2021)
Anthony Y Cui, Qiang Cui
Modulation of Nanoparticle Diffusion by Surface Ligand Length and Charge: Analysis with Molecular Dynamics Simulations. The journal of physical chemistry. B 125 (17) (2021)
Matthew J Voegtle, Tanmoy Pal, Anuj K Pennathur, Sevan Menachekanian, Joel G Patrow, Sohini Sarkar, Qiang Cui, Jahan M Dawlaty
Interfacial Polarization and Ionic Structure at the Ionic Liquid-Metal Interface Studied by Vibrational Spectroscopy and Molecular Dynamics Simulations. The journal of physical chemistry. B 125 (10) (2021)
Juan Zeng, Jingwei Weng, Yuwei Zhang, Fei Xia, Qiang Cui, Xin Xu
Conformational Features of Ras: Key Hydrogen-Bonding Interactions of Gln61 in the Intermediate State during GTP Hydrolysis. The journal of physical chemistry. B 125 (31) (2021)
Mark T Gregory, Yang Gao, Qiang Cui, Wei Yang
Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proceedings of the National Academy of Sciences of the United States of America 118 (23) (2021)
Hongbo Chen, Jiahua Deng, Qiang Cui, Baron Chanda, Katherine A Henzler-Wildman
Mapping temperature-dependent conformational change in the voltage-sensing domain of an engineered heat-activated K+ channel. Proceedings of the National Academy of Sciences of the United States of America 118 (14) (2021)
Heather Abbott-Lyon, Carlos R Baiz, Partha P Bera, Kyle N Crabtree, Qiang Cui, Ryan C Fortenberry, Christy F Landes, Anne B McCoy, Rodrigo Noriega, David E Woon
Viewpoint on ACS PHYS Division Sponsored Virtual Seminars. The journal of physical chemistry. A 125 (8) (2021)
Qiang Cui, Tanmoy Pal, Luke Xie
Biomolecular QM/MM Simulations: What Are Some of the "Burning Issues"? The journal of physical chemistry. B 125 (3) (2021)
Jian Fang, Sarah M Leichter, Jianjun Jiang, Mahamaya Biswal, Jiuwei Lu, Zhi-Min Zhang, Wendan Ren, Jixian Zhai, Qiang Cui, Xuehua Zhong, Jikui Song
Substrate deformation regulates DRM2-mediated DNA methylation in plants. Science advances 7 (23) (2021)

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Publication Activity (10 Years)

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Qiang Cui