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Discovery of new potent protein arginine methyltransferase 5 (PRMT5) inhibitors by assembly of key pharmacophores from known inhibitors
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2018, 卷号: 28, 期号: 23-24, 页码: 3693-3699
作者:
Zhu, Kongkai
;
Song, Jia-Li
;
Tao, Hong-Rui
;
Cheng, Zhi-Qiang
;
Jiang, Cheng-Shi
收藏
  |  
浏览/下载:100/0
  |  
提交时间:2019/01/08
Pharmacophore combination
Isoquinoline
PRMT5 inhibitor
Molecular docking
Molecular dynamics simulation
Deformation mechanisms in nanotwinned gamma-TiAl by molecular dynamics simulation
期刊论文
MOLECULAR SIMULATION, 2018, 卷号: 44, 期号: 18, 页码: 1489-1500
作者:
Cao Hui
;
Rui Zhiyuan
;
Chen Wenke
;
Feng Ruicheng
;
Yan Changfeng
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  |  
浏览/下载:0/0
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提交时间:2019/11/15
Nanotwinned gamma-TiAl
molecular dynamics
twin boundary
dislocations
plastic deformation
Deformation mechanisms in nanotwinned γ-TiAl by molecular dynamics simulation
期刊论文
Molecular Simulation, 2018, 卷号: 44, 期号: 18, 页码: 1489-1500
作者:
Hui, Cao
;
Zhiyuan, Rui
;
Wenke, Chen
;
Ruicheng, Feng
;
Changfeng, Yan
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2020/11/14
Cracks
Dislocations (crystals)
Fracture toughness
Piles
Plastic deformation
Reaction kinetics
Textures
Deformation mechanism
Dislocation densities
Dislocation emissions
Interaction of cracks
Molecular dynamics simulations
Nanotwinned
Plastic deformation mechanisms
Twin boundaries
Dissolutive flow in nanochannels: transition between plug-like and Poiseuille-like
期刊论文
MICROFLUIDICS AND NANOFLUIDICS, 2018, 卷号: 22, 期号: 12, 页码: Ar-141
作者:
Miao Q
;
Yuan QZ(袁泉子)
;
Zhao YP(赵亚溥)
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  |  
浏览/下载:65/0
  |  
提交时间:2018/12/12
Dissolutive flow
Nanochannels
Transport properties
Molecular dynamics simulation
Investigation of N behavior during coal pyrolysis and oxidation using ReaxFF molecular dynamics
期刊论文
FUEL, 2018, 卷号: 233, 页码: 867-876
作者:
Zheng, Mo
;
Li, Xiaoxia
;
Guo, Li
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  |  
浏览/下载:30/0
  |  
提交时间:2018/10/11
Reaxff Molecular Dynamics
Coal Pyrolysis
Coal Oxidation
Nox Emission
Nitrogen Transformation
Reaction Mechanisms
Identification of 5-benzylidene-2-phenylthiazolones as potent PRMT5 inhibitors by virtual screening, structural optimization and biological evaluations
期刊论文
BIOORGANIC CHEMISTRY, 2018, 卷号: 81, 页码: 289-298
作者:
Zhu, Kongkai
;
Tao, Hongrui
;
Song, Jia-Li
;
Jin, Lu
;
Zhang, Yuanyuan
收藏
  |  
浏览/下载:129/0
  |  
提交时间:2019/01/08
PRMT5 inhibitor
Arginine methylation
Virtual screening
Molecular docking
Molecular dynamics simulation
Ethylene glycol solution-induced DNA conformational transitions
期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27
作者:
Zhang, Nan
;
Li, Ming-Ru
;
Zhang, Feng-Shou
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  |  
浏览/下载:18/0
  |  
提交时间:2019/03/27
DNA conformational transitions
ethylene glycol
molecular dynamics simulations
Chirality transitions and transport properties of individual few-walled carbon nanotubes as revealed by in situ TEM probing
期刊论文
ULTRAMICROSCOPY, 2018, 卷号: 194, 页码: 108-116
作者:
Tang, DM
;
Kvashnin, DG
;
Cretu, O
;
Nemoto, Y
;
Uesugi, F
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  |  
浏览/下载:25/0
  |  
提交时间:2018/12/25
Carbon nanotubes
Chirality
In situ transmission electron microscopy
Nanobeam electron diffraction
Metal-to-semiconductor transition
Molecular dynamics simulation
The cloud point phenomenon of ionic surfactants: A view from molecular dynamics and metadynamics simulation
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 269, 页码: 298-303
作者:
Liu, Guokui
;
Feng, Jin
;
Wang, Honglei
;
Gao, Fengfeng
;
Wei, Yaoyao
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  |  
浏览/下载:42/0
  |  
提交时间:2018/12/21
Molecular dynamics
Metadynamics simulations
Cloud point
Tetrabutylammonium dodecyl sulfate
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