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GROMACS 2020在ROCm平台上的移植与优化 期刊论文
计算机工程与科学, 2021, 卷号: 43, 期号: 11, 页码: 1901-1909
Authors:  张驭洲;  曹武迪;  卜景德;  谭光明;  吉青
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分子动力学  GROMACS  ROCm  应用移植  性能优化  
机器学习方法研究玻璃体系中的Gardner相变 期刊论文
物理, 2021, 卷号: 50, 期号: 04, 页码: 266
Authors:  金瑜亮
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机器学习方法  Gardner  
蛋白质三级结构预测算法综述 期刊论文
计算机学报, 2018, 卷号: 41, 期号: 04, 页码: 760-779
Authors:  王超;  朱建伟;  张海仓;  巩海娥;  郑伟谋;  卜东波
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蛋白质结构  同源建模  归范法  从头预测法  能量函数  动态规划  线性规划  
关于统计力学的基本原理 期刊论文
物理, 2018, 卷号: 47, 期号: 10, 页码: 617-625
Authors:  郑伟谋
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统计力学  热力学  不可逆性  
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  
Advances in the mechanism of mechanochemical coupling of kinesin 期刊论文
ACTA PHYSICA SINICA, 2016, 卷号: 65, 期号: 18, 页码: 188702
Authors:  Li, M;  Ouyang, ZC;  Shu, YG;  Shu, YG (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China.;  Shu, YG (reprint author), Chinese Acad Sci, Inst Theoret Phys, Beijing 100190, Peoples R China.
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Kinesin  Single Molecule Technology  Mechanochemical Coupling  
碱基对在DNA双螺旋链上分离的自由能计算(英文) 期刊论文
物理化学学报, 2016, 卷号: 32, 期号: 05, 页码: 1282-1288
Authors:  伍绍贵;  冯丹
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平均力势  氢键  分子动力学模拟  伞形取样  
驱动马达力学化学耦合机制研究进展 期刊论文
物理学报, 2016, 卷号: 65, 期号: 18, 页码: 137-148
Authors:  黎明;  欧阳钟灿;  舒咬根
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驱动马达  单分子技术  力学化学耦合  
Rotational viscosity comparison of liquid crystals based on the molecular dynamics of mixtures 期刊论文
ACTA PHYSICA SINICA, 2015, 卷号: 64, 期号: 12, 页码: 126102
Authors:  Wang, QD;  Peng, ZH;  Liu, YG;  Yao, LS;  Ren, G;  Xuan, L;  Xuan, L (reprint author), Chinese Acad Sci, Changchun Inst Opt Fine Mech & Phys, State Key Lab Appl Opt, Changchun 130022, Peoples R China.
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Liquid Crystal  Response Speed  Molecular Dynamics Simulation  Rotational Viscosity  
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.
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F-1-atpase  Hydrogen Bond  Molecular Dynamics  Mutation