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Tracking of the Molecular Motion in the Primary Event of Photoinduced Reactions of a Phytochromobilin Model 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 卷号: 117, 期号: 50, 页码: 15976-15986
Authors:  Zhuang, Xuhui;  Wang, Jun;  Lan, Zhenggang
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Dynamics of Triplet-State Photochemistry of Pentanal: Mechanisms of Norrish I, Norrish II, and H Abstraction Reactions 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2013, 卷号: 117, 期号: 46, 页码: 11711-11724
Authors:  Shemesh, Dorit;  Lan, Zhenggang;  Gerber, R. Benny
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A Mechanistic Study of Trichoderma reesei Cel7B Catalyzed Glycosidic Bond Cleavage 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 卷号: 117, 期号: 29, 页码: 8714-8722
Authors:  Zhang, Yu;  Yan, Shihai;  Yao, Lishan
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Engineering a More Thermostable Blue Light Photo Receptor Bacillus subtilis YtvA LOV Domain by a Computer Aided Rational Design Method 期刊论文
PLOS COMPUTATIONAL BIOLOGY, 2013, 卷号: 9, 期号: 7
Authors:  Song, Xiangfei;  Wang, Yefei;  Shu, Zhiyu;  Hong, Jingbo;  Li, Tong;  Yao, Lishan
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分子动力学模拟在蛋白质热稳定性研究中的应用 学位论文
, 北京: 中国科学院研究生院, 2013
Authors:  洪景波
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分子动力学模拟  自由能变计算  解折叠参考态  化学位移  温度系数  二硫键设计  蛋白热稳定性  
里氏木霉来源的纤维素内切酶EGI的催化机理探究及热稳定性改造 学位论文
, 北京: 中国科学院研究生院, 2013
Authors:  张雨
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里氏木霉egi  催化机理  酶促反应动力学  热稳定性  二硫键  
Photoinduced Nonadiabatic Decay and Dissociation Dynamics of Dimethylnitramine 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2013, 卷号: 117, 期号: 23, 页码: 4785-4793
Authors:  Zhuang, Xuhui;  Wang, Jun;  Lan, Zhenggang
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Mechanism of the Humicola insolens Cel7B E197S mutant catalyzed flavonoid glycosides synthesis: a QM/MM metadynamics simulation study 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2013, 卷号: 132, 期号: 6, 页码: 1-10
Authors:  Zhang, Yu;  Yan, Shihai;  Yao, Lishan
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Glycosynthase  Catalytic Mechanism  Free Energy Surface  Qm/mm Metadynamics  Molecular Dynamics  
The protein amide (1)H(N) chemical shift temperature coefficient reflects thermal expansion of the N-H...O=C hydrogen bond 期刊论文
J Biomol NMR, 2013, 卷号: 55, 期号: 1, 页码: 71-78
Authors:  Hong, J.;  Jing, Q.;  & Yao, L
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Amide Proton  Gb3  Chemical Shift Temperature Coefficient  Molecular Dynamics Simulation  Hydrogen Bond  
The multi-configurational time-dependent Hartree approach 其他
2013-01-01
Authors:  H.-D. Meyer;  U. Manthe;  L.S. Cederbaum
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The Multi-configurational Time-dependent Hartree Approach.pdf