Cui Liu

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 12

Top Topics

Electron Transfer

Molecular Dynamics

Transition Metal

Top Venues

Physical chemistry chemical physics : PCCP

Journal of chemical theory and computation

The journal of physical chemistry. B

The journal of physical chemistry. A

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

Publications

Hong Huang, Dong-Xia Zhao, Jian Zhao, Xin Chen, Cui Liu, Zhong-Zhi Yang
Origin of Enantioselectivity in Engineered Cytochrome c -Catalyzed Carbon-Radical FePP Hydrolysis Revealed Using QM/MM (ABEEM Polarizable Force Field) and MD Simulations. The journal of physical chemistry. B 128 (16) (2024)
Hong Huang, Dong-Xia Zhao, Jian Zhao, Xin Chen, Cui Liu, Zhong-Zhi Yang
Origin of Enantioselectivity in Engineered Cytochrome c -Catalyzed Carbon-Radical FePP Hydrolysis Revealed Using QM/MM (ABEEM Polarizable Force Field) and MD Simulations. The journal of physical chemistry. B (2024)
Yue Wang, Linlin Liu, Yue Gao, Jiayue Zhao, Cui Liu, Li-Dong Gong, Zhong-Zhi Yang
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. Physical chemistry chemical physics : PCCP (2023)
Cui Liu, He Jiang, Yue Li, Bing Xue, Yu-Ying Yao, Zhong-Zhi Yang
Development of a QM/MM(ABEEM) method combined with a polarizable force field to investigate the excision reaction mechanism of damaged thymine. Physical chemistry chemical physics : PCCP 25 (4) (2023)
Cui Liu, He Jiang, Yue Li, Bing Xue, Yu-Ying Yao, Zhong-Zhi Yang
Development of a QM/MM(ABEEM) method combined with a polarizable force field to investigate the excision reaction mechanism of damaged thymine. Physical chemistry chemical physics : PCCP (2023)
Cui Liu, He Jiang, Yue Li, Bing Xue, Yu-Ying Yao, Zhong-Zhi Yang
Development of a QM/MM(ABEEM) method combined with a polarizable force field to investigate the excision reaction mechanism of damaged thymine. Physical chemistry chemical physics : PCCP 25 (4) (2023)
Cui Liu, Yang Ren, Xiao-Qin Gao, Xue Du, Zhong-Zhi Yang
Development of QM/MM (ABEEM polarizable force field) method to simulate the excision reaction mechanism of damaged cytosine. Journal of computational chemistry 43 (32) (2022)
Cui Liu, Change Lv, Yu-Ying Yao, Xue Du, Dong-Xia Zhao, Zhong-Zhi Yang
Water-Mediated Oxidation of Guanine by a Repair Enzyme: Simulation Using the ABEEM Polarizable Force Field. Journal of chemical theory and computation 17 (6) (2021)
Cui Liu, Jian Zhao, Zhong-Zhi Yang, Dong-Xia Zhao
Dividing the Periodic Box into Subdivisions with Their Surroundings to Accelerate Molecular Dynamics Simulation with High Accuracy. Journal of chemical theory and computation 16 (12) (2020)
Hua Shi, Li-Dong Gong, Cui Liu, Li-Nan Lu, Zhong-Zhi Yang
ABEEM/MM OH- Models for OH-(H2O)n Clusters and Aqueous OH-: Structures, Charge Distributions, and Binding Energies. The journal of physical chemistry. A 124 (28) (2020)
Li-Nan Lu, Cui Liu, Zhong-Zhi Yang
Systematic Parameterization and Simulation of Boronic Acid-β-Lactamase Aqueous Solution in Developing the ABEEMσπ Polarizable Force Field. The journal of physical chemistry. A 124 (41) (2020)
Cui Liu, Yue Li, Bing-Yu Han, Li-Dong Gong, Li-Nan Lu, Zhong-Zhi Yang, Dong-Xia Zhao
Development of the ABEEMσπ Polarization Force Field for Base Pairs with Amino Acid Residue Complexes. Journal of chemical theory and computation 13 (5) (2017)