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山东大学 [13]
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期刊论文 [100]
其他 [2]
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2018 [103]
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发表日期:2018
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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
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
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
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
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, Dai-Ming
;
Kvashnin, Dmitry G.
;
Cretu, Ovidiu
;
Nemoto, Yoshihiro
;
Uesugi, Fumihiko
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  |  
浏览/下载:0/0
  |  
提交时间:2021/02/02
Carbon nanotubes
Chirality
In situ transmission electron microscopy
Nanobeam electron diffraction
Metal-to-semiconductor transition
Molecular dynamics simulation
Diffusion and Relaxation Dynamics of Supercooled Polymer Melts
期刊论文
CHINESE JOURNAL OF POLYMER SCIENCE, 2018, 卷号: 36, 期号: 10, 页码: 1187-1194
作者:
Pan, Deng
;
Sun, Zhao-Yan
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  |  
浏览/下载:30/0
  |  
提交时间:2019/04/09
Supercooled Polymer Melt
Molecular Dynamics Simulation
Diffusion
Relaxation
Molecular dynamics simulation of binary betaine and anionic surfactant mixtures at decane - Water interface
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 266, 页码: 82-89
作者:
Cai, Hong-Yan
;
Zhang, Yi
;
Liu, Zi-Yu
;
Li, Jian-Guo
;
Gong, Qing-Tao
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  |  
浏览/下载:43/0
  |  
提交时间:2019/04/09
Betaine
Anionic Surfactant
Molecular Dynamics Simulation
Interface
Theory and practice of using solvent paramagnetic relaxation enhancement to characterize protein conformational dynamics
期刊论文
METHODS, 2018, 卷号: 148, 页码: 48-56
作者:
Gong, Zhou
;
Schwieters, Charles D.
;
Tang, Chun
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  |  
浏览/下载:18/0
  |  
提交时间:2018/11/05
Paramagnetic relaxation enhancement
Protein cosolute
Structure refinement
Molecular dynamics simulation
Monte Carlo algorithm
Xplor-NIH
Discovery of novel wee1 inhibitors via structure-based virtual screening and biological evaluation
期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2018, 卷号: 32, 期号: 9, 页码: 901-915
作者:
Li, Yaping
;
Pu, Yinglan
;
Liu, Hui
;
Zhang, Li
;
Liu, Xingyong
收藏
  |  
浏览/下载:50/0
  |  
提交时间:2018/11/06
Wee1 inhibitors
Pharmacophore model
Molecular docking
Virtual screening
Molecular dynamics simulation
A simulation study of water property changes using geometrical alteration in SPC/E
期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27, 页码: 083103
作者:
Li, Ming-Ru
;
Zhang, Nan
;
Zhang, Feng-Shou
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  |  
浏览/下载:25/0
  |  
提交时间:2018/10/08
molecular dynamics simulation
geometric modification
intermolecular interaction
ion's solvation
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