| [1] |
QIAN Shengjie, WANG Yanggang, LI Jun.
Single Iron-dimer Catalysts on MoS2 Nanosheet for Potential Nitrogen Activation
[J]. Chemical Research in Chinese Universities, 2022, 38(5): 1226-1231.
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| [2] |
LIU Sicheng, SUN Shijun.
Combined QSAR/QSPR, Molecular Docking, and Molecular Dynamics Study of Environmentally Friendly PBDEs with Improved Insulating Properties
[J]. Chemical Research in Chinese Universities, 2019, 35(3): 478-484.
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| [3] |
ZANG Dongyun, ZHAO Guanjia, LIU Xiaona, YIN Jianguo, MA Suxia.
Experimental and Molecular Simulation of Volumetric Properties of Methyl Nonanoate, n-Dodecane, and Their Binary Mixtures
[J]. Chemical Research in Chinese Universities, 2019, 35(2): 299-303.
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| [4] |
WU Leichao, HAN Yong, ZHANG Qianrui, ZHU Lin, ZHANG Chuanxin and ZHAO Ruikuan.
Molecular Dynamics Simulation: Influence of External Electric Field on Bubble Interface in Air Flotation Process
[J]. Chemical Research in Chinese Universities, 2018, 34(6): 939-944.
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| [5] |
LI Hui, ZOU Huiyuan, LIU Linlin, ZHAO Dongxia, YANG Zhongzhi.
Studies on Hydrolysis Mechanism of Anticancer Ruthenium Drug ImH[trans-Ru(Im)2Cl4] via ABEEMσπ Polarizable Force Field Combined with QM and MD-FEP
[J]. Chemical Research in Chinese Universities, 2017, 33(2): 239-247.
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| [6] |
HAN Yong, ZHU Lilan, ZHANG Yuyan.
Molecular Dynamics Simulation for the Impact of External Electric Fields on CaCl2 Aqueous Solution
[J]. Chemical Research in Chinese Universities, 2016, 32(4): 641-646.
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| [7] |
WANG Yan, ZHENG Qingchuan, ZHANG Jilong, XIE Mo, ZHAN Jiuyu, ZHANG Hongxing.
How Mutations Affecting the Ligand-receptor Interactions: a Combined MD and QM/MM Calculation on CYP2E1 and Its Two Mutants
[J]. Chemical Research in Chinese Universities, 2015, 31(6): 1029-1038.
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| [8] |
ZHANG Zidong, ZHANG Jilong, ZHENG Qingchuan, KONG Chuipeng, LI Zhengqiang, ZHANG Hongxing, MA Jianzhang.
Theoretical Investigation on Binding Process of Allophanate to Allophanate Hydrolase
[J]. Chemical Research in Chinese Universities, 2015, 31(6): 1023-1028.
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| [9] |
LIU Linlin, ZHAO Dongxia, YANG Zhongzhi.
Aggregation of Glycerol Induced by Carbon Nanotubes in Aqueous Solution and Its Influencing Factors
[J]. Chemical Research in Chinese Universities, 2015, 31(5): 878-884.
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| [10] |
JIANG Tao, WANG Ning, PENG Shuming, YAN Liuming.
Structural and Transport Characteristics of UCl3 in Molten LiCl-KCl Mixture: a Molecular Dynamics Simulation Study
[J]. Chemical Research in Chinese Universities, 2015, 31(2): 281-287.
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| [11] |
LI Wenzhao, MENG Wei, TIAN Pu.
Impact of Stable Protein-protein Interaction on Protein Conformational Space
[J]. Chemical Research in Chinese Universities, 2015, 31(1): 149-155.
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| [12] |
WU Yunjian, ZHENG Qingchuan, XU Yu, CHU Wenting, CUI Yinglu, WANG Yan, ZHANG Hongxing.
Insight into the Urea Binding and K166R Mutation Stabilizing Mechanism of TlpB: Molecular Dynamics and Principal Component Analysis Study
[J]. Chemical Research in Chinese Universities, 2014, 30(6): 1011-1017.
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| [13] |
KONG Chui-peng, ZHANG Hong-xing, ZHAO Zeng-xia, ZHENG Qing-chuan.
Molecular Dynamic Studies on Langmuir Monolayers of Stearic Acid
[J]. Chemical Research in Chinese Universities, 2013, 29(3): 545-550.
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| [14] |
XUE Xiang-gui, ZHAO Li, LÜ Zhong-yuan, QIAN Hu-jun.
Molecular Dynamics Study of Ionic Liquid Film Based on [emim][Tf2N] and [emim][TfO] Adsorbed on Highly Oriented Pyrolytic Graphite
[J]. Chemical Research in Chinese Universities, 2013, 29(2): 366-373.
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| [15] |
ZHANG Rui, DONG Li-hua, LING Bao-ping, WANG Zhi-guo, LIU Yong-jun.
Activation of β2-Adrenergic Receptor Induced by Three Catecholamine Agonists: a Docking and Molecular Dynamics Study
[J]. Chemical Research in Chinese Universities, 2012, 28(3): 493-499.
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