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Free Energy Calculation for Base Pair Dissociation in a DNA Duplex 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 5, 页码: 1282-1288
Authors:  Wu, SG;  Feng, D;  Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.;  Wu, SG (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
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Potential Of Mean Force  Hydrogen Bond  Molecular Dynamics Simulation  Umbrella Sampling  
Mechanism of pyrophosphate ion release in T7 RNA polymerase revealed by free energy simulations 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1094, 页码: 127-132
Authors:  Wu, SG;  Jiang, MQ;  Liu, L;  Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.
Adobe PDF(1649Kb)  |  Favorite  |  View/Download:93/1  |  Submit date:2017/10/13
Molecular Dynamics Simulation  T7 Rna Polymerase  Ppi Release  Potential Of Mean Force  
F-1-ATPase Stabilizes and Positions Adenosine Triphosphate Revealed by Molecular Dynamics Simulations 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2015, 卷号: 31, 期号: 9, 页码: 1803-1809
Authors:  Wu, SG;  Gao, XT;  Li, Q;  Liao, J;  Xu, CG;  Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.
Adobe PDF(3700Kb)  |  Favorite  |  View/Download:123/2  |  Submit date:2016/11/21
F-1-atpase  Hydrogen Bond  Molecular Dynamics  Mutation