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Deciphering molecular mechanism behind conformational change of the Sao Paolo metallo-beta-lactamase 1 by using enhanced sampling
期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2019, 页码: 12
作者:
Chen, Jianzhong
;
Wang, Jinan
;
Pang, Laixue
;
Wang, Wei
;
Zhao, Juan
收藏
  |  
浏览/下载:47/0
  |  
提交时间:2020/07/01
Sao paolo metallo-beta-lactamase-1
REMD simulations
normal mode analysis
principal component analysis
drug resistance of antibiotics
Layer-dependent dielectric and optical properties of centimeter-scale 2D WSe2: evolution from a single layer to few layers
期刊论文
NANOSCALE, 2019, 卷号: 11, 期号: 47, 页码: 22762-22771
作者:
Gu, Honggang
;
Song, Baokun
;
Fang, Mingsheng
;
Hong, Yilun
;
Chen, Xiuguo
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2021/02/02
Layer-dependent dielectric and optical properties of centimeter-scale 2D WSe2: evolution from a single layer to few layers
期刊论文
NANOSCALE, 2019, 卷号: 11, 期号: 47, 页码: 22762-22771
作者:
Gu, Honggang
;
Song, Baokun
;
Fang, Mingsheng
;
Hong, Yilun
;
Chen, Xiuguo
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2021/02/02
The molecular mechanism of robust macrophage immune responses induced by PEGylated molybdenum disulfide
期刊论文
NANOSCALE, 2019, 卷号: 11, 期号: 46, 页码: 22293-22304
作者:
Gu, Zonglin
;
Chen, Serena H.
;
Ding, Zhaowen
;
Song, Wei
;
Wei, Wei
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2020/03/24
Formation and migration of helium pair in bcc Fe from first principle calculations
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 170, 页码: UNSP 109192
作者:
Li LL
;
Shi JY
;
Peng L
;
Jiang W
;
Qian GA(钱桂安)
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  |  
浏览/下载:66/0
  |  
提交时间:2019/12/17
First-principle
Helium pair
Migration
Bcc Fe
Homology modeling and 3D-QSAR study of benzhydrylpiperazine delta opioid receptor agonists
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 83, 页码: 9
作者:
Pan, Chenling
;
Meng, Hao
;
Zhang, Shuqun
;
Zuo, Zhili
;
Shen, Yuehai
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2020/03/18
delta opioid receptor agonists
3D-QSAR
Homology modeling
Molecular dynamics simulation
Molecular docking
Effect of interaction between H and He on micro-defects in Fe9Cr alloy investigated by slow positron beam
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2019, 卷号: 526, 页码: 5
作者:
Li, Lei
;
Jin, Shuoxue
;
Zhang, Peng
;
Wang, Dandan
;
Cao, Xingzhong
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2022/01/19
H/He
Sequential irradiation
Micro-defects
Fe9Cr alloy
Helium bubble growth under strain fields in tungsten investigated by atomic method
期刊论文
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2019, 卷号: 460, 页码: 60-66
作者:
Cui, Minghuan
;
Gao, Ning
;
Wang, Dong
;
Gao, Xing
;
Wang, Zhiguang
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2022/01/19
Helium bubble growth
Loop punching
Strain field
Tungsten
Density functional theory study on the electronic structures and related properties of Ag-doped CH3NH3PbI3 perovskite
期刊论文
RESULTS IN PHYSICS, 2019, 卷号: 15
作者:
Xu, Zi-Wei
;
Zhang, Cai-Rong
;
Wu, You-Zhi
;
Gong, Ji-Jun
;
Wang, Wei
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2022/03/01
Density functional theory
Electronic structures
Perovskite CH3NH3PbI3
Doping
Manganese doping mechanism in a CsPbI2Br photovoltaic material: a first-principles study
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 42, 页码: 23552-23558
作者:
An, Junpeng
;
Jiang, Haiyan
;
Tian, Ying
;
Xue, Hongtao
;
Tang, Fuling
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2020/06/02
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