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Electrical activities of sulfur dopants in GaAs introduced by self-assembled molecular monolayers
期刊论文
JOURNAL OF APPLIED PHYSICS, 2025, 卷号: 137, 期号: 12
作者:
Fan, Zhengfang
;
Liu, Yumeng
;
Wang, Yizhuo
;
Wei, Hao
;
Li, He
Adobe PDF(2044Kb)
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收藏
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浏览/下载:22/1
|
提交时间:2025/04/14
Electric rectifiers
Gallium arsenide
Molecular docking
Molecules
Secondary ion mass spectrometry
Self assembled monolayers
Semiconducting gallium arsenide
Semiconductor doping
Silicon wafers
Surface discharges
Doping techniques
Electrical activities
GaAs
Hall measurements
Junction diode
Lows-temperatures
Molecular monolayer
Non destructive
Research focus
Secondary ion-mass spectrometry
Bridging mechanical properties with atomic structures of polymorphic α-synuclein fibrils by single-molecule analysis and molecular dynamics simulations
期刊论文
AGGREGATE, 2025, 卷号: 6, 页码: e70023
作者:
Bi, Lulu
;
Li, Linge
;
Li, Xiang
;
Wu, Shaojuan
;
Zhang, Xia
Adobe PDF(4227Kb)
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收藏
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浏览/下载:122/7
|
提交时间:2025/02/24
Crystal atomic structure
Molecular docking
Molecular dynamics
Neurodegenerative diseases
Dynamics simulation
Mechanical
Molecular simulations
Optical-
Parkinson's disease
Property
Single molecule
Single-molecule analysis
Α-syn fibril
α-synuclein
Potency Prediction of Covalent Inhibitors against SARS-CoV-2 3CL-like Protease and Multiple Mutants by Multiscale Simulations
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2024, 卷号: 64, 期号: 24
作者:
Muya Xiong
;
Tianqing Nie
;
Zhewen Li
;
Meiyi Hu
;
Haixia Su
Adobe PDF(7488Kb)
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收藏
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浏览/下载:265/5
|
提交时间:2024/12/02
Binding energy
Molecular docking
Structural dynamics
Coronaviruses
Covalent reaction
Dynamics simulation
Expert knowledge
Hybrid QM/MM
Inhibition mechanisms
Multi-scale simulation
Pathogenics
Reaction mechanism
Structure based drug designs
Design, synthesis and biological evaluation of novel 3C-like protease inhibitors as lead compounds against SARS-CoV-2
期刊论文
FUTURE MEDICINAL CHEMISTRY, 2024
作者:
Yan, Yong
;
Liu, Hanwen
;
Wu, Di
;
Gu, Zhihao
;
Guo, Wenhao
Adobe PDF(3417Kb)
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收藏
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浏览/下载:194/0
|
提交时间:2024/05/14
3CLpro
3CLpro inhibitors
molecular docking
SARS-CoV-2
virtual screening based on pharmacophore
Bioinformatics study of the potential therapeutic effects of ginsenoside Rf in reversing nonalcoholic fatty liver disease
期刊论文
BIOMEDICINE & PHARMACOTHERAPY, 2022, 卷号: 149
作者:
Chen, Lichun
;
Wang, Liziniu
;
Ao, Weizhen
Adobe PDF(17286Kb)
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收藏
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浏览/下载:325/2
|
提交时间:2022/05/27
NAFLD
Hepatic steatosis
Ginsenoside Rf
Molecular docking
Gene expression
Bioinformatics
Molecular docking-based computational platform for high-throughput virtual screening
期刊论文
CCF TRANSACTIONS ON HIGH PERFORMANCE COMPUTING, 2022, 卷号: 4, 期号: 1, 页码: 63-74
作者:
Zhang, Baohua
;
Li, Hui
;
Yu, Kunqian
;
Jin, Zhong
Adobe PDF(969Kb)
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收藏
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浏览/下载:822/338
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提交时间:2022/10/14
Binding energy
Molecular modeling
Visualization
Web services
Websites
Active compounds
Computational platforms
Computer aided drug design
High-throughput
Large-scale computing
Molecular docking
Structure-based
Supercomputing
Ultra-large-scale computing
Virtual Screening
Discovery of Novel Allosteric Modulators Targeting an Extra-Helical Binding Site of GLP-1R Using Structure- and Ligand-Based Virtual Screening
期刊论文
BIOMOLECULES, 2021, 卷号: 11, 期号: 7
作者:
Zhou, Qingtong
;
Guo, Wanjing
;
Dai, Antao
;
Cai, Xiaoqing
;
Vass, Marton
Adobe PDF(14168Kb)
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收藏
|
浏览/下载:1145/298
|
提交时间:2021/08/16
GLP-1R
virtual screening
allosteric modulator
drug discovery
molecular docking
Design, synthesis and pharmacological evaluation of tricyclic derivatives as selective RXFP4 agonists
期刊论文
BIOORGANIC CHEMISTRY, 2021, 卷号: 110
作者:
Lin, Lin
;
Lin, Guangyao
;
Zhou, Qingtong
;
Bathgate, Ross A. D.
;
Gong, Grace Qun
Adobe PDF(4286Kb)
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收藏
|
浏览/下载:233/0
|
提交时间:2021/07/23
Synthesis
Structure-activity relationship
Relaxin family peptide receptor 4
Selective agonist
Molecular docking
Discovery of Indoleamine 2,3-Dioxygenase 1 (IDO-1) Inhibitors Based on Ortho-Naphthaquinone-Containing Natural Product
期刊论文
MOLECULES, 2019, 卷号: 24, 期号: 6
作者:
Zhao, Hongchuan
;
Sun, Pu
;
Guo, Wei
;
Wang, Yi
;
Zhang, Ao
Adobe PDF(6921Kb)
|
收藏
|
浏览/下载:1080/298
|
提交时间:2019/05/08
indoleamine 2
3-dioxygenase 1
immunosuppressive
natural product
ortho-naphthaquinone
molecular docking
Discovery of novel DNA methyltransferase 3A inhibitors via structure-based virtual screening and biological assays
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2017, 卷号: 27, 期号: 2, 页码: 342-346
作者:
Shao, Zhiyuan
;
Xu, Pan
;
Xu, Wen
;
Li, Linjuan
;
Liu, Shien
Adobe PDF(2043Kb)
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收藏
|
浏览/下载:399/0
|
提交时间:2017/07/04
Epigenetics
DNMT3A inhibitors
Virtual screening
Molecular docking
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