| [1] |
LI Xinyi, LIU Yongjun.
Theoretical Insights into the Cleavage of β-Hydroxy Ketone Catalyzed by Artificial Retro-aldolase RA95.5-8F
[J]. Chem. J. Chinese Universities, 2021, 42(7): 2306.
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| [2] |
ZHU Jingxuan,YU Zhengfei,LIU Ye,ZHAN Dongling,HAN Jiarui,TIAN Xiaopian,HAN Weiwei.
Exploration of Increasing the Non-specificity Substrates Activity for the Phosphotriesterase-like Lactonase Using Molecular Dynamics Simulations†
[J]. Chem. J. Chinese Universities, 2019, 40(1): 138.
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| [3] |
PAN Yiming, ZHANG Jing, TIAN Bo, YAO Jingjing, GONG Lidong, LIU Cui, YANG Zhongzhi.
Study on the Interactions Between Na+ and N-Methylacetamide and Water by the ABEEM/MM†
[J]. Chem. J. Chinese Universities, 2018, 39(11): 2468.
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| [4] |
REN Jiayi, YANG Zhiwei, ZHENG Nianjue, LI Junqi, YANG Chunlong, LIN Shujian, YANG Bing, HUANG Junqing, LIAO Huaxin, YUAN Xiaohui, OU Shiyi.
Effect of Force Fields and Water Models on EGFRvⅢ-MR1(scFv)Complex by Molecular Dynamics Simulation, MM-PBSA Calculation, and ITC Experiment†
[J]. Chem. J. Chinese Universities, 2017, 38(11): 2070.
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| [5] |
DUAN Xinli, ZHANG Xin, LEI Ming.
QM/MM Molecular Dynamics Simulation on the Mechanisms for the Hydrolytic Deamination of Nicotinamidase†
[J]. Chem. J. Chinese Universities, 2015, 36(12): 2491.
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| [6] |
WANG Jing-Jing, LIU Cui, YANG Zhong-Zhi.
Molecular Dynamics Simulations of Proteins GA88 and GB88 by ABEEMσπ and OPLS-AA Force Fields
[J]. Chem. J. Chinese Universities, 2013, 34(1): 142.
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| [7] |
DUAN Bao-Gen, KONG Bin, SUN Wen-Hua, YANG Xiao-Zhen*.
Relationship Between Catalytic Activity and Metal Atom Net Charge of Iron Complex Bearing 2-Imino-1,10-phenanthrolinyl Ligand
[J]. Chem. J. Chinese Universities, 2010, 31(2): 343.
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| [8] |
XU Ding-Guo*, YAN Guo-Sen.
Catalysis Mechanism Study on L1 β-Lactamase
[J]. Chem. J. Chinese Universities, 2008, 29(12): 2453.
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| [9] |
HAO Lan, ZHANG Yong, TAN Hong-Wei, CHEN Guang-Ju*.
Theoretical Investigation of Interaction Between Unclassical Trinuclear Antitumor Platinum Complex and DNA Duplex
[J]. Chem. J. Chinese Universities, 2007, 28(6): 1160.
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| [10] |
HUANG Su-Lan, HAO Lan, TAN Hong-Wei, CHEN Guang-Ju.
Theoretical Investigation of Interaction Between Di-nuclear Platinum Drug and DNA Duplex
[J]. Chem. J. Chinese Universities, 2006, 27(3): 531.
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| [11] |
DIAO Pei-Chi, SUN Hong-Wei, CHEN Lan, CHEN Rong-Xin, CHEN Pei-Quan, YUAN Jing, YUAN Man-Xue, LAI Cheng-Meng.
Recognition of Halide Anions by Strapped Calix[4]pyrroles
[J]. Chem. J. Chinese Universities, 2006, 27(2): 336.
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| [12] |
CHEN Dong-Hui, SUN Hong-Wei, CHEN Lan, CHEN Rong-Xin, YUAN Jing, CHEN Pei-Quan, YUAN Man-Xue, LAI Cheng-Meng.
Theoretical Study on Host-guest Interaction Between Bis(amidopyridine)-linked Calix[4]arenes and Aliphatic Dicarboxylic Acids
[J]. Chem. J. Chinese Universities, 2006, 27(1): 153.
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| [13] |
ZHANG Qiang, YANG Zhong-Zhi.
Application of the ABEEM/MM Model to Simulate Molecule of Protein(Crambin)
[J]. Chem. J. Chinese Universities, 2005, 26(12): 2345.
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| [14] |
ZHANG Jiang, YANG Zhong-Zhi.
Application of the ABEEM/MM Model to Simulate Molecule of Protein(Crambin)
[J]. Chem. J. Chinese Universities, 2005, 26(12): 2345.
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| [15] |
WANG Shu-Jun, RUAN Wen-Juan, ZHAO Xiao-Jing, NAN Jing, ZHU Zhi-Ang.
Studies on Molecular Recognition of Imidazole Derivatives by Novel Chiral Tyrosine Tetraphenylporphinatozinc Complex
[J]. Chem. J. Chinese Universities, 2004, 25(5): 908.
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