| [1] |
Chengqiao Li, Yibo Wang.
A Combination Method of Quantum Chemistry and Its Application to the Study of the Effects of Mercury on the Formation of Sulfuric Acid Aerosol
[J]. Acta Chimica Sinica, 2021, 79(8): 1065-1072.
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| [2] |
Haohao Fu, Haochuan Chen, Hong Zhang, Xueguang Shao, Wensheng Cai.
Accurate Estimation of Protein-ligand Binding Free Energies Based on Geometric Restraints
[J]. Acta Chimica Sinica, 2021, 79(4): 472-480.
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| [3] |
Kang Wenbin, Xia Yun, Wang Jun, Wang Wei.
Sulfur Dioxide Promotes the Formation of Amyloid Fibrils through Enhanced Secondary Nucleation: A Molecular Dynamics Study
[J]. Acta Chim. Sinica, 2016, 74(8): 694-702.
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| [4] |
Lu Dongfei, Di Youying, Dou Jianmin.
Synthesis, Crystal Structure and Low-temperature Heat Capacities of Bis(n-undecylammonium)tetrachlorocadmiumate
[J]. Acta Chimica Sinica, 2012, 70(07): 889-896 .
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| [5] |
ZHENG Rong, LV Tun.
Homology Modeling of Anti-DON Scfv Antibody and Molecular Simulation Study between Scfv and Its Antigen DON
[J]. Acta Chimica Sinica, 2011, 69(23): 2882-2888.
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| [6] |
GE Hong-Hua, WEI Cheng-Jun, GONG Xiao-Ming, XU Xue-Min, TAO Jie-Ting, YAO Xiu-Ping.
Effect of Electromagnetic Treatment on Sedimentation and Adhesion Behavior of Calcium Carbonate Particles Formed in Aqueous Solution
[J]. Acta Chimica Sinica, 2011, 69(19): 2313-2318.
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| [7] |
ZHANG Ji, LI Ting, LU Tao, MENG Wei, YU Dan-Ni, CHEN Ya-Dong.
Theoretical Studies on the Mechanisms of Interaction between Morin and the Catalytic Zinc Ion in Matrix Metalloproteinases
[J]. Acta Chimica Sinica, 2011, 69(03): 253-261.
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| [8] |
BI Hong-Yan, LI Jing, KONG Chang-Qing, YANG Shu-Juan, SUN Yan-Zhi, ZHANG Hong-Lin, LI Gan-Zuo, YU Li.
Studies on the Critical Micelle Concentration and the Thermodynamic Function of AOT in Long-chain Alcohol/DMF Systems Using Microcalorimetric Method
[J]. Acta Chimica Sinica, 2010, 68(23): 2381-2388.
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| [9] |
YI Chang-Hong, ZHANG Qing-Gang.
Study of the Binding Free Energies between HIV-1 Protease and Its Inhibitors
[J]. Acta Chimica Sinica, 2010, 68(20): 2029-2034.
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| [10] |
SHI Shun-Beng, LUO Wen-Lang, SHU Zheng-He, LIU Xiu-Hua, FU Yi-Bei, JIANG Gang, WANG Rong, GU E-Wen.
The Reversible Decomposition Voltages of H2O, D2O, T2O under the Dipole Electric Field
[J]. Acta Chimica Sinica, 2010, 68(10): 975-981.
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| [11] |
GAO Zong-Hua, SHI Quan, TAN Zhi-Cheng, LAN Xiao-Zheng.
Low-temperature Heat Capacity and Thermodynamic Properties of 2-Thiopheneacetic Acid
[J]. Acta Chimica Sinica, 2010, 68(03): 227-232.
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| [12] |
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Molecular Dynamics Simulations and Free Energy Calculation of FKBP12 Protein and Its Inhibitors
[J]. Acta Chimica Sinica, 2009, 67(9): 1019-1025.
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| [13] |
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Minor Groove Binding between DB818 and DNA: a Molecular Dynamics Simulation and Binding Free Energy Analysis
[J]. Acta Chimica Sinica, 2009, 67(5): 453-458.
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| [14] |
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Influence of the Solvent Water Molecules at the Active Site of CDK2 on the Binding Free Energy of CDK2-ligand Complexes: an MM/PBSA Study
[J]. Acta Chimica Sinica, 2009, 67(3): 255-260.
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| [15] |
WEI Chun-Xue, DUAN Xiao-Hui, LIU Cheng-Jian, LIU Yong-Gang, LI Jin-Shan.
Molecular Simulation on Co-Crystal Structure of HMX/TATB
[J]. Acta Chimica Sinica, 2009, 67(24): 2822-2826.
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