Zhong‐Zhi Yang - Publications, H-index & Citations

Zhong‐Zhi Yang

liaoning normal university

34H指数

254论文数

3.4K被引数

收录论文 51

发表时间

Accelerating KSpot Charge Evaluation in Nucleic Acids via ABEEM Polarizable Force Field 通过ABEEM可极化力场加速核酸KSpot电荷评估

Journal of Physical Chemistry A

IF2.8

2026-08-27

PREAI

Qing-Yan Sun; Xue-Lu Jiang; Xin Guo; Hong Huang; Jian Zhao; Dong-Xia Zhao; Zhong-Zhi Yang

The Multiscale Fragment Method With Cutting the Chemical Bonds of System: MD Simulations of Trypsin Inhibitor Aqueous Solution by ABEEM Polarizable Force Field 基于切断系统化学键的多尺度片段方法：使用ABEEM可极化力场对胰蛋白酶抑制剂水溶液的MD模拟

International Journal of Quantum Chemistry

IF2

2026-05-19

PREAI

Huang, Yue; Jia, Si-Dan; Li, Lin; Wang, Yue; Liu, Cui; Yang, Zhong-Zhi

Solving electric vehicle routing problem with recharging and battery swapping using a collaborative decision attention network 使用协同决策注意力网络解决含充电和换电的电动汽车路径规划问题

Expert Systems with Applications

IF7.5

2025-10-21

PREAI

Qi-chao Sun; Jun-qing Li; Xiao-long Chen; Zhong-zhi Yang; Ya-nan Wang; Zhao-sheng Du; Li Wei

The ABEEM/MM Calcium Polarizable Force Field: Parameterization and Applications in Aqueous Solutions and Protein Segments ABEEM/MM 钙离子极化力场：参数化及其在水溶液和蛋白质片段中的应用

The Journal of Physical Chemistry B

IF2.9

2025-10-14

PREAI

Runqiang Yu; Linan Lu; Linlin Liu; Lei Wang; Jing Zhang; Duanyu Hu; Jian Zhao; Cui Liu; Lidong Gong; Zhongzhi Yang

Intelligent Algorithm-guided Parameter Learning for the ABEEM Model 智能算法引导的ABEEM模型参数学习

Chemical Research in Chinese Universities

IF3

2025-09-17

PREAI

Peiran Meng; Zhuo You; Kaixuan Guo; Chunyang Yu; Lidong Gong; Zhongzhi Yang

ABEEM/MM Magnesium Force Field for Proteins and Aqueous Solutions ABEEM/MM 镁离子力场：蛋白质与水溶液

interdisciplinary sciences computational life sciences

IF0

2025-08-14

PREAI

Jing Zhang; Linan Lu; Runqiang Yu; Linlin Liu; Lei Wang; Cui Liu; Lidong Gong; Zhongzhi Yang

ABEEM Polarizable Force Field for PC Lipids: Parameterization and Molecular Dynamics Simulations ABEEM 可极化力场用于PC脂质：参数化与分子动力学模拟

Journal of Chemical Theory and Computation

IF5.5

2025-07-03

PREAI

Xiaoyu Wang; Linlin Liu; Peiran Meng; Jian Zhao; Lei Wang; Cui Liu; Lidong Gong; Zhongzhi Yang

Development of QM/MM (ABEEM polarizable force field) method to simulate the excision reaction mechanism of damaged cytosine

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2022-09-24

PREAI

Liu, Cui; Ren, Yang; Gao, Xiao-qin; Du, Xue; Yang, Zhong-zhi

Water-Mediated Oxidation of Guanine by a Repair Enzyme: Simulation Using the ABEEM Polarizable Force Field

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-05-21

PREAI

Liu, Cui; Lv, Change; Yao, Yu-ying; Du, Xue; Zhao, Dong-xia; Yang, Zhong-zhi

Dividing the Periodic Box into Subdivisions with Their Surroundings to Accelerate Molecular Dynamics Simulation with High Accuracy

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-11-24

PREAI

Liu, Cui; Zhao, Jian; Yang, Zhong-Zhi; Zhao, Dong-Xia

Theoretical Investigation on Regioselectivities of Diels-Alder Reactions by Conjugated Effect

CHINESE JOURNAL OF CHEMISTRY

IF5.5

2020-11-17

PREAI

Xu, Zhen-Zhen; Zhao, Jian; Zhao, Dong-Xia; Yang, Zhong-Zhi

Structure and Phase Behavior of the Confined Water in Graphene Nanocapillaries Studied by ABEEMσπ Polarizable Force Field

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2019-02-13

PREAI

He, Lan-Lan; Li, Yan; Zhao, Dong-Xia; Yu, Ling; Zhao, Chong-Li; Lu, Li-Nan; Liu, Cui; Yang, Zhong-Zhi

Reaction mechanism of NO with hydrolysates of NAMI-A: an MD simulation by combining the QM/MM(ABEEM) with the MD-FEP method

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2018-10-30

OAAI

Li, Hui; Wang, Di; Zhao, Xin; Lu, Li-Nan; Liu, Cui; Gong, Li-Dong; Zhao, Dong-Xia; Yang, Zhong-Zhi

Fukui Function and Local Softness Related to the Regioselectivity of Electrophilic Addition Reactions

analytica chimica acta

IF13.5

2018-01-01

PREAI

Zhu Zunwei; Yang Qiaofeng; Xu Zhenzhen; Zhao Dongxia; Fan Hongjun; Yang Zhongzhi

Theoretical reflections on the structural polymorphism of the oxygen-evolving complex in the S2 state and the correlations to substrate water exchange and water oxidation mechanism in photosynthesis

BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

IF2.7

2017-10-01

PREAI

Guo, Yu; Li, Hui; He, Lan-Lan; Zhao, Dong-Xia; Gong, Li-Dong; Yang, Zhong-Zhi

Development of the ABEEMσπ Polarization Force Field for Base Pairs with Amino Acid Residue Complexes

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-04-18

PREAI

Liu, Cui; Li, Yue; Han, Bing-Yu; Gong, Li-Dong; Lu, Li-Nan; Yang, Zhong-Zhi; Zhao, Dong-Xia

Studies on Hydrolysis Mechanism of Anticancer Ruthenium Drug ImH[trans-Ru(Im)2Cl4] via ABEEMσπ Polarizable Force Field Combined with QM and MD-FEP

CHEMICAL RESEARCH IN CHINESE UNIVERSITIES

IF3

2017-03-10

PREAI

Li Hui; Zou Huiyuan; Liu Linlin; Zhao Dongxia; Yang Zhongzhi

QM/MM(ABEEM) Study on the Ligand Substitution Processes of Ruthenium(III) Complex NAMI-A

CHINESE JOURNAL OF CHEMISTRY

IF5.5

2017-03-08

PREAI

Li, Hui; Sun, Ting-Ting; Zhang, Chao; Liu, Linlin; Zhao, Dongxia; Yang, Zhongzhi

Rationalization of regioselectivity of electrophilic substitution reaction for cyclic compounds in terms of Dpb values 根据Dpb值合理化环状化合物的亲电取代反应的区域选择性

CHINESE CHEMICAL LETTERS

IF8.9

2015-05-01

PREAI

Liu, Yang; Yang, Zhong-Zhi; Zhao, Dong-Xia

Investigation of the Distinction between van der Waals Interaction and Chemical Bonding Based on the PAEM-MO Diagram

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2014-02-24

PREAI

Zhao, Dong-Xia; Yang, Zhong-Zhi

研究方向