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科研机构
华南理工大学 [48]
内容类型
期刊论文 [29]
会议论文 [10]
会议 [9]
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2017 [5]
2016 [4]
2015 [10]
2014 [3]
2013 [4]
2012 [3]
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专题:华南理工大学
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Mechanism of Phosphorylation-Induced Folding of 4E-BP2 Revealed by Molecular Dynamics Simulations
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 页码: 320-328
作者:
Zeng, Juan[1]
;
Jiang, Fan[1]
;
Wu, Yun-Doug[1,2]
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/04/24
Molecular dynamics study of CO2 absorption and desorption in zinc imidazolate frameworks
期刊论文
MOLECULAR SYSTEMS DESIGN & ENGINEERING, 2017, 卷号: 2, 页码: 457-469
作者:
Gao, Min[1,2,5,6]
;
Misquitta, Alston J.[1,2]
;
Yang, Chenxing[1,2,7,8]
;
Todorov, Ilian T.[3]
;
Mutter, Andreas[4,9]
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/04/24
Pressure-induced amorphization in the nanoindentation of single crystalline silicon (EI收录)
期刊论文
RSC Advances, 2017, 卷号: 7, 页码: 1357-1362
作者:
Han, Jing[1]
;
Xu, Song[2]
;
Sun, Jiapeng[3]
;
Fang, Liang[4]
;
Zhu, Hua[1]
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/04/24
Amorphization
Crystalline materials
Hydrostatic pressure
Indentation
Molecular dynamics
Nanoindentation
Phase transitions
Shear stress
Silicon
Morphology-Controlled Synthesis of Hybrid Nanocrystals via a Selenium-Mediated Strategy with Ligand Shielding Effect: The Case of Dual Plasmonic Au-Cu2-xSe (EI收录)
期刊论文
ACS Nano, 2017, 卷号: 11, 页码: 3776-3785
作者:
Zou, Yu[1]
;
Sun, Chao[1]
;
Gong, Wenbin[2]
;
Yang, Xianfeng[3]
;
Huang, Xin[1]
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/04/24
Chelation
Metal nanoparticles
Metals
Molecular dynamics
Nanocrystals
Optical properties
Plasmons
Selenium compounds
Shells (structures)
Structural dynamics
Surface plasmon resonance
Molecular dynamics simulations elucidate conformational selection and induced fit mechanisms in the binding of PD-1 and PD-L1
期刊论文
MOLECULAR BIOSYSTEMS, 2017, 卷号: 13, 页码: 892-900
作者:
Liu, Wenping[1,2]
;
Huang, Bing[1]
;
Kuang, Yashu[2]
;
Liu, Guangjian[2]
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/04/24
Improved ductility of Cu64Zr36metallic glass/Cu nanocomposites via phase and grain boundaries (EI收录SCI收录)
期刊论文
Nanotechnology, 2016, 卷号: 27, 页码: 1-7
作者:
Jian, W.R.[1,2,3]
;
Wang, L.[3]
;
Li, B.[3,4]
;
Yao, X.H.[1]
;
Luo, S.N.[2,3]
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/04/24
Amorphous materials
Ductility
Glass
Grain boundaries
Interfaces (materials)
Metallic glass
Metals
Molecular dynamics
Nanocomposites
Plasticity
Shear bands
Single crystals
Soot nanoparticles could partake in nucleation of biogenic particles in the atmosphere: Using fullerene as a model compound (EI收录SCI收录)
期刊论文
Atmosphere, 2016, 卷号: 7, 页码: 45-45
作者:
Liu, Yiwen[1]
;
Wang, Zhuang[1]
;
Wang, Se[1]
;
Fang, Hao[1]
;
Wang, Degao[2]
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/04/24
Atmospheric aerosols
Atmospheric chemistry
Density functional theory
Free energy
Gibbs free energy
Growth (materials)
Molecular dynamics
Nanoparticles
Nucleation
Quantum chemistry
Soot
Theoretical Insight into the Influences of Molecular Ratios on Stabilities and Mechanical Properties, Solvent Effect of HMX/FOX-7 Cocrystal Explosive
期刊论文
JOURNAL OF ENERGETIC MATERIALS, 2016, 卷号: 34, 页码: 426-439
作者:
Wei, Yan-Ju[1]
;
Ren, Fu-De[1]
;
Shi, Wen-Jing[2]
;
Zhao, Qi[3]
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/04/24
molecular dynamics
N-NO2 bond dissociation energy
molecular ratios
HMX/FOX-7 cocrystal
solvent effect
mechanical property
Exposition of phosphotyrosine site on ITAM-like motif of ERM proteins mediated by force through PSGL-1 (EI收录)
期刊论文
Huanan Ligong Daxue Xuebao/Journal of South China University of Technology (Natural Science), 2016, 卷号: 44, 页码: 128-135
作者:
Wu, Jian-Hua[1]
;
Kuang, Xiao-Min[1]
;
Liu, Wen-Ping[1]
;
Fang, Ying[1]
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/04/24
Amino acids
Crystal structure
Enzymes
Molecular dynamics
Phosphorylation
Proteins
The mechanisms of flavonoids inhibiting conformational transition of amyloid-β42monomer: a comparative molecular dynamics simulation study (EI收录)
期刊论文
RSC Advances, 2015, 卷号: 5, 页码: 66391-66402
作者:
Wang, Ling[1,2,4]
;
Zeng, Ranran[1]
;
Pang, Xiaoqian[1]
;
Gu, Qiong[3]
;
Tan, Wen[1,2,4]
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/04/25
Binding energy
Flavonoids
Free energy
Molecular dynamics
Monomers
Neurodegenerative diseases
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