Cui Liu

12PUBLICATIONS
6CO-AUTHORS
Transition metal chemistryCatalysis and mechanisms of reactionsChemical thermodynamics and energeticsChemical and thermal processes in energy and combustionElectrochemistry
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Publications (12)

|Oct 23, 2026
Developing the Atom-Bond Electronegativity Equalization Method Polarizable Force Field for Zinc Metalloproteins and Their Simulations.

|Oct 14, 2025
The ABEEM/MM Calcium Polarizable Force Field: Parameterization and Applications in Aqueous Solutions and Protein Segments.

Runqiang Yu, Linan Lu, Linlin Liu

|Jul 03, 2025
ABEEM Polarizable Force Field for PC Lipids: Parameterization and Molecular Dynamics Simulations.

Xiaoyu Wang, Linlin Liu, Peiran Meng

|Apr 12, 2024
Origin of Enantioselectivity in Engineered Cytochrome c-Catalyzed Carbon-Radical FePP Hydrolysis Revealed Using QM/MM (ABEEM Polarizable Force Field) and MD Simulations.

Hong Huang, Dong-Xia Zhao, Jian Zhao

|Dec 12, 2023
Development of a QM/MM(ABEEM) method for the deprotonation of neutral and cation radicals in the G-tetrad and GGX(8-oxo-G) tetrad.

Yue Wang, Linlin Liu, Yue Gao

|Jan 13, 2023
Development of a QM/MM(ABEEM) method combined with a polarizable force field to investigate the excision reaction mechanism of damaged thymine.

Cui Liu, He Jiang, Yue Li

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Frequent Collaborators

11 joint publications

Zhongzhi Yang

4 joint publications

Lidong Gong

4 joint publications

Dong-Xia Zhao

1 joint publications

Hua Shi