卢丽男｜辽宁师范大学｜学者主页

2025

The ABEEM/MM Calcium Polarizable Force Field: Parameterization and Applications in Aqueous Solutions and Protein Segments

Runqiang Yu, Linan Lu, Linlin Liu, Lei Wang, Jing Zhang, Duanyu Hu, Jian Fei Zhao, Cui Liu, Lidong Gong, Zhong‐Zhi Yang

The Journal of Physical Chemistry B

DOI

2025

ABEEM/MM Magnesium Force Field for Proteins and Aqueous Solutions

Jing Zhang, Linan Lu, Runqiang Yu, Linlin Liu, Lei Wang, Cui Liu, Lidong Gong, Zhong‐Zhi Yang

Interdisciplinary Sciences Computational Life Sciences

DOI

2023

应用ABEEM极化力场研究核酸碱基和氨基酸侧链的相互作用

卢丽男，杨忠志，赵东霞

《辽宁师范大学学报(自然科学版)》

2022

Refined models of coordination between Al3+/Mg2+ and enzyme in molecular dynamics simulation in terms of ABEEM polarizable force field

Linan Lu, Cui Liu, Zhong‐Zhi Yang, Dong‐Xia Zhao

Journal of Molecular Graphics and Modelling

DOI

2021

应用ABEEM方法计算含金属离子Ga3+蛋白的电荷分布

卢丽男，杨忠志

《辽宁师范大学学报(自然科学版)》

2020

Systematic Parameterization and Simulation of Boronic Acid−β-Lactamase Aqueous Solution in Developing the ABEEMσπ Polarizable Force Field

Linan Lu, Cui Liu, Zhong‐Zhi Yang

The Journal of Physical Chemistry A

DOI

2020

ABEEM/MM OH– Models for OH–(H2O)n Clusters and Aqueous OH–: Structures, Charge Distributions, and Binding Energies

Hua‐Tian Shi, Lidong Gong, Cui Liu, Linan Lu, Zhong‐Zhi Yang

The Journal of Physical Chemistry A

DOI

2019

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

Lanlan He, Yan Li, Dong‐Xia Zhao, Ling Dan Yu, Chong-Li Zhao, Linan Lu, Cui Liu, Zhong‐Zhi Yang

The Journal of Physical Chemistry C

DOI

2018

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

Hui Li, Di Wang, Xin Zhao, Linan Lu, Cui Liu, Lidong Gong, Dong‐Xia Zhao, Zhong‐Zhi Yang

Journal of Computational Chemistry

DOI

2017

S4-S0转化期水结合至放氧复合体可能机制的理论研究

郭宇，刘瑜，戚娟娟，李慧，赫兰兰，卢丽男，刘翠，宫利东，赵东霞，杨忠志

《化学学报》

2017

Possible Mechanisms of Water Binding to the Oxygen-Evolving Complex during the S4-S0 Transition: A Theoretical Investigation

Yu Ling Guo, Yu Liu, Juanjuan Qi, Hui Li, Lanlan He, Linan Lu, Liu Cui, Lidong Gong, Dong‐Xia Zhao, Zhong‐Zhi Yang

《化学学报》

DOI

2017

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

Cui Liu, Yue Li, Bing-Yu Han, Lidong Gong, Linan Lu, Zhong‐Zhi Yang, Dong‐Xia Zhao

Journal of Chemical Theory and Computation

DOI

2015

Electrochemical biosensor for microRNA detection based on hybridization protection against nuclease S1 digestion

Yunlei Zhou, Mo Wang, Zhiqing Yang, Linan Lu, Huanshun Yin, Shiyun Ai

Journal of Solid State Electrochemistry

DOI

2014

Fapy-G对碱基氢键复合物影响的理论研究

刘翠，张千慧，宫利东，卢丽男，杨忠志

《高等学校化学学报》

2013

Microhydration of alanine in gas phase studied by quantum chemical method and ABEEMσπ/MM fluctuating charge model

Linan Lu, Cui Liu, Lidong Gong

Chemical Research in Chinese Universities

DOI

2011

Electrochemical oxidation determination and voltammetric behaviour of 4-nitrophenol based on Cu2O nanoparticles modified glassy carbon electrode

Huanshun Yin, Yunlei Zhou, Shiyun Ai, Qiang Ma, Lusheng Zhu, Linan Lu

International Journal of Environmental & Analytical Chemistry

DOI

2010

Amperometric determination of bisphenol A in milk using PAMAM–Fe3O4 modified glassy carbon electrode

Huanshun Yin, Lin Cui, Quanpeng Chen, Weijie Shi, Shiyun Ai, Lusheng Zhu, Linan Lu

Food Chemistry

DOI

2010

Electrochemical oxidation behavior of guanine and adenine on graphene–Nafion composite film modified glassy carbon electrode and the simultaneous determination

Huanshun Yin, Yunlei Zhou, Qiang Ma, Shiyun Ai, Peng Ju, Lusheng Zhu, Linan Lu

Process Biochemistry

DOI

2010

Electrochemical oxidative determination of 4-nitrophenol based on a glassy carbon electrode modified with a hydroxyapatite nanopowder

Huanshun Yin, Yunlei Zhou, Shiyun Ai, Xianggang Liu, Lusheng Zhu, Linan Lu

Microchimica Acta

DOI

2009

Molecular dynamics simulations of N-methylacetamide (NMA) in water by the ABEEM/MM model

Ping Qian, Linan Lu, Zhong‐Zhi Yang

Canadian Journal of Chemistry

DOI

2009

Ab initio investigation of water clusters (H2O)n (n = 2–34)

Ping Qian, Wei Song, Linan Lu, Zhong‐Zhi Yang

International Journal of Quantum Chemistry

DOI

2009

Study of water clusters in the n = 2–34 size regime, based on the ABEEM/MM model

Ping Qian, Linan Lu, Wei Song, Zhong‐Zhi Yang

Theoretical Chemistry Accounts

DOI

2006

应用ABEEM/MM蛋白质力场模型研究半胱氨酸二肽构象的性质

卢丽男，杨忠志

Journal of Molecular Science

卢丽男

精选作品

期刊论文

The ABEEM/MM Calcium Polarizable Force Field: Parameterization and Applications in Aqueous Solutions and Protein Segments

ABEEM/MM Magnesium Force Field for Proteins and Aqueous Solutions

应用ABEEM极化力场研究核酸碱基和氨基酸侧链的相互作用

Refined models of coordination between Al3+/Mg2+ and enzyme in molecular dynamics simulation in terms of ABEEM polarizable force field

应用ABEEM方法计算含金属离子Ga3+蛋白的电荷分布

Systematic Parameterization and Simulation of Boronic Acid−β-Lactamase Aqueous Solution in Developing the ABEEMσπ Polarizable Force Field

ABEEM/MM OH– Models for OH–(H2O)n Clusters and Aqueous OH–: Structures, Charge Distributions, and Binding Energies

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

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

S4-S0转化期水结合至放氧复合体可能机制的理论研究

Possible Mechanisms of Water Binding to the Oxygen-Evolving Complex during the S4-S0 Transition: A Theoretical Investigation

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

Electrochemical biosensor for microRNA detection based on hybridization protection against nuclease S1 digestion

Fapy-G对碱基氢键复合物影响的理论研究

Microhydration of alanine in gas phase studied by quantum chemical method and ABEEMσπ/MM fluctuating charge model

Electrochemical oxidation determination and voltammetric behaviour of 4-nitrophenol based on Cu2O nanoparticles modified glassy carbon electrode

Amperometric determination of bisphenol A in milk using PAMAM–Fe3O4 modified glassy carbon electrode

Electrochemical oxidation behavior of guanine and adenine on graphene–Nafion composite film modified glassy carbon electrode and the simultaneous determination

Electrochemical oxidative determination of 4-nitrophenol based on a glassy carbon electrode modified with a hydroxyapatite nanopowder

Molecular dynamics simulations of N-methylacetamide (NMA) in water by the ABEEM/MM model

Ab initio investigation of water clusters (H2O)n (n = 2–34)

Study of water clusters in the n = 2–34 size regime, based on the ABEEM/MM model

应用ABEEM/MM蛋白质力场模型研究半胱氨酸二肽构象的性质

会议论文

发展ABEEMσπ方法计算含硼蛋白体系的电荷分布

应用abinitio和ABEEMσπ/MM浮动电荷力场研究碱基和氨基酸侧链的相互作用