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A simple but effective modeling strategy for structural properties of non-heme Fe(II) sites in proteins: Test of force field models and application to proteins in the AlkB family 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2013, 卷号: 34, 期号: 19, 页码: 1620-1635
Authors:  Pang, Xueqin;  Han, Keli;  Cui, Qiang;  Han KL(韩克利);  Cui qiang
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Dna Repair Enzymes  Molecular Dynamics  Non-heme Iron  Crystal Packing  Protein-dna Interaction  
White Light Assisted Photosensitized Synthesis of Ag Nanoparticles: Excited-State Hydrogen Bonding Roles 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2013, 卷号: 117, 期号: 22, 页码: 11858-11865
Authors:  Yang, Yang;  Liu, Lei;  Yin, Hongming;  Xu, Dali;  Liu, Guangye;  Song, Xiancheng;  Liu, Jianyong;  Yin HM(尹鸿鸣);  Liu JY(刘建勇)
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Antagonist binding and induced conformational dynamics of GPCR A2A adenosine receptor 期刊论文
Proteins, 2013, 卷号: 81, 期号: 8, 页码: 1399
Authors:  Pang XQ(庞雪芹);  Yang MJ(杨明俊);  Han KL(韩克利)
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Molecular dynamics simulation exploration of unfolding and refolding of a ten-amino acid miniprotein 期刊论文
AMINO ACIDS, 2012, 卷号: 43, 期号: 2, 页码: 557-565
Authors:  Zhao, Guang-Jiu;  Cheng, Chang-Li;  Zhao GJ(赵广久)
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Protein Folding  Protein Unfolding  Hydrogen Bond  Beta-hairpin  Steered Molecular Dynamics  
Molecular dynamics simulations reveal structural coordination of Ffh-FtsY heterodimer 期刊论文
Proteins, 2011, 卷号: 待补充, 期号: 待补充, 页码: 1774
Authors:  Yang MJ(杨明俊);  Zhang X(张鑫)
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Synthesis of cyanated tetracenes as the organic semiconductors 期刊论文
ORGANIC ELECTRONICS, 2009, 卷号: 10, 期号: 6, 页码: 1054-1059
Authors:  Li, An;  Wen, Shu-Hao;  Song, Jun-Ling;  Deng, Wei-Qiao;  Deng WQ(邓伟侨)
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Organic Semiconductor  Hole Mobility  Reorganization Energy  Cyanated Tetracene  Air-stable  
Time-dependent wavepacket approach to the influence of intense fields on the population of molecular excited states 期刊论文
CHEMICAL PHYSICS, 2005, 卷号: 316, 期号: 1-3, 页码: 93-98
Authors:  Meng, QT;  Liu, XG;  Zhang, QG;  Han, KL;  Meng QT(孟庆田);  Meng QT(孟庆田)
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Time-dependent Wavepacket Method  Intense Field  Light-matter Interaction  Manipulation Of Molecular Process  
Theoretical study on analytical potential function and spectroscopic parameters for CaF molecule 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2004, 2004, 卷号: 678, 678, 期号: 1-3, 页码: 183-188, 183-188
Authors:  Yang, CL;  Zhang, X;  Han, KL
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Ab Initio  Ab Initio  Potential Energy Curve  Potential Energy Curve  Analytical Potential Energy Function  Analytical Potential Energy Function  Ground State  Ground State