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金属研究所 [9]
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期刊论文 [19]
发表日期
2020 [19]
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Substitution Effect of the Trifluoromethyl Group on the Bioactivity in Medicinal Chemistry: Statistical Analysis and Energy Calculations
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 12, 页码: 6242-6250
作者:
Abula, Amina
;
Xu, Zhijian
;
Zhu, Zhengdan
;
Peng, Cheng
;
Chen, Zhaoqiang
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2021/05/24
Computational Insights into the Conformational Accessibility and Binding Strength of SARS-CoV-2 Spike Protein to Human Angiotensin-Converting Enzyme 2
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2020, 卷号: 11, 期号: 24, 页码: 10482-10488
作者:
Peng, Cheng
;
Zhu, Zhengdan
;
Shi, Yulong
;
Wang, Xiaoyu
;
Mu, Kaijie
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  |  
浏览/下载:29/0
  |  
提交时间:2021/05/24
Prevalence, risk factors and clinical correlates of depression in quarantined population during the COVID-19 outbreak
期刊论文
JOURNAL OF AFFECTIVE DISORDERS, 2020, 卷号: 275, 页码: 119-124
作者:
Peng, Min
;
Mo, Beirong
;
Liu, Yansong
;
Xu, Mingming
;
Song, Xinran
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  |  
浏览/下载:46/0
  |  
提交时间:2020/08/24
COVID-19
Quarantine
Depression
Anxiety
Sleep quality
Post-traumatic stress symptoms
High-entropy (Nd0.2Sm0.2Eu0.2Y0.2Yb0.2)(4)Al(2)O(9)with good high temperature stability, low thermal conductivity, and anisotropic thermal expansivity
期刊论文
JOURNAL OF ADVANCED CERAMICS, 2020, 卷号: 9, 期号: 5, 页码: 595-605
作者:
Zhao, Zifan
;
Xiang, Huimin
;
Chen, Heng
;
Dai, Fu-Zhi
;
Wang, Xiaohui
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  |  
浏览/下载:129/0
  |  
提交时间:2021/02/02
(Nd0
2Sm0
2Eu0
2Y0
2Y0
2)
high-entropy ceramics (HECs)
environmental barrier coatings
phase stability
thermal properties
High-entropy (Nd0.2Sm0.2Eu0.2Y0.2Yb0.2)(4)Al(2)O(9)with good high temperature stability, low thermal conductivity, and anisotropic thermal expansivity
期刊论文
JOURNAL OF ADVANCED CERAMICS, 2020, 卷号: 9, 期号: 5, 页码: 595-605
作者:
Zhao, Zifan
;
Xiang, Huimin
;
Chen, Heng
;
Dai, Fu-Zhi
;
Wang, Xiaohui
收藏
  |  
浏览/下载:131/0
  |  
提交时间:2021/02/02
(Nd0
2Sm0
2Eu0
2Y0
2Y0
2)
high-entropy ceramics (HECs)
environmental barrier coatings
phase stability
thermal properties
Computational study of the substituent effect of halogenated fused-ring heteroaromatics on halogen bonding
期刊论文
JOURNAL OF MOLECULAR MODELING, 2020, 卷号: 26, 期号: 10, 页码: 12
作者:
Zhang, Qihua
;
Smalley, Adam
;
Zhu, Zhengdan
;
Xu, Zhijian
;
Peng, Cheng
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  |  
浏览/下载:50/0
  |  
提交时间:2020/12/21
Halogen bonding
Fused-ring heteroaromatics
Quantum chemistry calculation
sigma-hole
Electrostatic potential
Binding energy
D3Targets-2019-nCoV: a webserver for predicting drug targets and for multi-target and multi-site based virtual screening against COVID-19
期刊论文
ACTA PHARMACEUTICA SINICA B, 2020, 卷号: 10, 期号: 7, 页码: 1239-1248
作者:
Shi, Yulong
;
Zhang, Xinben
;
Mu, Kaijie
;
Peng, Cheng
;
Zhu, Zhengdan
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  |  
浏览/下载:27/0
  |  
提交时间:2020/12/24
COVID-19
SARS-CoV-2
Target prediction
Multi-conformation
Multi-site
Docking
D3Targets-2019-nCoV
High-entropy (Y0.2Nd0.2Sm0.2Eu0.2Er0.2)AlO3: A promising thermal/environmental barrier material for oxide/oxide composites
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2020, 卷号: 47, 页码: 45-51
作者:
Zhaoa, Zifan
;
Chen, Heng
;
Xiang, Huimin
;
Dai, Fu-Zhi
;
Wang, Xiaohui
收藏
  |  
浏览/下载:67/0
  |  
提交时间:2021/02/02
High-entropy ceramics
(Y0.2Nd0.2Sm0.2Eu0.2Er0.2)AlO3
Tri-layer EBC system
Low thermal conductivity
Al2O3f/Al2O3 CMCs
High-entropy (Y0.2Nd0.2Sm0.2Eu0.2Er0.2)AlO3: A promising thermal/environmental barrier material for oxide/oxide composites
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2020, 卷号: 47, 页码: 45-51
作者:
Zhaoa, Zifan
;
Chen, Heng
;
Xiang, Huimin
;
Dai, Fu-Zhi
;
Wang, Xiaohui
收藏
  |  
浏览/下载:84/0
  |  
提交时间:2021/02/02
High-entropy ceramics
(Y0.2Nd0.2Sm0.2Eu0.2Er0.2)AlO3
Tri-layer EBC system
Low thermal conductivity
Al2O3f/Al2O3 CMCs
Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2020, 页码: 8
作者:
Peng, Cheng
;
Wang, Jinan
;
Xu, Zhijian
;
Cai, Tingting
;
Zhu, Weiliang
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2020/07/01
adaptive steered molecular dynamics (ASMD)
binding affinity
HIV-1 protease
semi-empirical quantum mechanics
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