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Selectivity of Neutral/Weakly Basic P1 Group Inhibitors of Thrombin and Trypsin by a Molecular Dynamics Study 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2008, 卷号: 14, 期号: 28, 页码: 8704-8714
Authors:  Wu, Emilia L.;  Han, KeLi;  Zhang, John Z. H.
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Molecular Dynamics  Molecular Mechanics  Selectivity  Thrombin  Trypsin  
Molecular dynamics study of hydrogen adsorption in Y-junction carbon nanotubes 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2004, 卷号: 684, 期号: 1-3, 页码: 75-80
Authors:  Wu, HL;  Qiu, HS;  Hao, C;  Tang, ZN;  Han, K
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Y-junction Carbon Nanotube  H-2 Storage  Molecular Dynamics Simulations  Molecular Mechanics Calculations  
Computational study on the interactions between the templates and MCM-22 zeolite 期刊论文
CHINESE JOURNAL OF INORGANIC CHEMISTRY, 2004, 卷号: 20, 期号: 1, 页码: 41-47
Authors:  Zhou, DH;  Yang, MM;  Wang, Y;  Yang, G;  Liu, XC
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Mcm-22 Zeolite  Template  Host-guest Non-bonding Interactions  Monte Carlo Calculation  Molecular Mechanics  
The exploration of novel ruthenium catalytic system for cyclopropanation (II) - Preliminary investigation on selectivity of trans: Cis controlled by stereochemistry of N,P-ligand 期刊论文
CHINESE JOURNAL OF INORGANIC CHEMISTRY, 2001, 卷号: 17, 期号: 4, 页码: 507-512
Authors:  Li, C;  Zhou, DH;  Yao, XQ;  Liu, XM;  Lu, SW;  Han, XW;  Bao, XH
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Cyclopropanation  Molecular Mechanics/dynamics  Carbene  
A study of a molecular mechanics field used in simulating enantiorecognition 期刊论文
CHINESE CHEMICAL LETTERS, CHINESE CHEMICAL LETTERS, 1999, 1999, 卷号: 10, 10, 期号: 5, 页码: 415-418, 415-418
Authors:  Shen, HQ;  Wang, QH;  Zhu, DQ;  Zhou, LM
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Molecular Mechanics  Molecular Mechanics  Simulating  Simulating  Enantiorecognition  Enantiorecognition  
Enantiomeric resolution of some nonsteroidal antiinflammatory and anticoagulant drugs using beta-cyclodextrins by capillary electrophoresis 期刊论文
CHIRALITY, 1999, 卷号: 11, 期号: 1, 页码: 56-62
Authors:  Zhu, XF;  Lin, BC;  Epperlein, U;  Koppenhoefer, B
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Chiral Separation  Cyclodextrin  Capillary Electrophoresis  Molecular Mechanics