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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, 期号: 5
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:140/7
|
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
Reversible Angle Distortion-Dependent Electrochemical CO
2
Reduction on Cobalt Phthalocyanine
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2025, 卷号: 147, 期号: 7, 页码: 5819-5827
作者:
Mei, Bingbao
;
Mao, Jianing
;
Liang, Zhaofeng
;
Sun, Fanfei
;
Yang, Shuai
Adobe PDF(5831Kb)
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浏览/下载:80/6
|
提交时间:2025/02/24
Atomic emission spectroscopy
Bioremediation
Bond length
Cobalt
Crystal atomic structure
Electron density measurement
Molecular orbitals
Photoionization
Reaction intermediates
X ray absorption near edge structure spectroscopy
Active catalyst
Active site
Carbon dioxide reduction
CO 2 reduction
Cobalt phthalocyanine
Electrochemicals
High-energy resolution
Intrinsic mechanisms
Long duration
Operando
Dimensionality and Molecular Packing Control of Covalent Organic Frameworks through Pendant Group Design
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2024, 卷号: 146, 期号: 46, 页码: 31384-31390
作者:
Wei, Lei
;
Wu, Shitao
;
Li, Chengji
;
Liu, Chenyu
;
Chen, Hao
Adobe PDF(6659Kb)
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浏览/下载:369/13
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提交时间:2024/11/19
Aldehydes
Crystal atomic structure
Elastomers
Covalent organic frameworks
Extended structures
Group Design
Molecular packings
Non-covalent interaction
Organics
Packing geometry
Pendant groups
Stackings
Tetrakis
Role of the structural order of the hydration layer in regulating the heterogeneous ice nucleation efficiency
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2024, 卷号: 412
作者:
Huang, Yujie
;
Liang, Wenlong
;
Huang, Luyao
;
Zhang, Yue
;
Yang, Haijun
Adobe PDF(4638Kb)
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浏览/下载:297/7
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提交时间:2024/09/20
Crystal orientation
Hydrogen bonds
Ice
Molecular orientation
Wetting
Dynamics simulation
Heterogeneous ice nucleation
Hydration layers
Hydrogen bond networks
Hydrogen-bond networks
Ice nucleation
Molecular dynamic simulation
Nucleation rate
Structural ordering
Water orientations
Observation of Chiral Channels in Helical Covalent Organic Frameworks
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2024, 卷号: 146, 期号: 16, 页码: 11450-11456
作者:
Zhang, Ya-Jie
;
Li, Li-Hua
;
Feng, Jie
;
Deng, Xia
;
Sun, Tu
Adobe PDF(7013Kb)
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浏览/下载:295/1
|
提交时间:2024/05/11
Crystal structure
Functional materials
Superconducting materials
Chiral channels
Chirality transfer
Covalent organic frameworks
Electron crystallography
Highly ordered structure
Length scale
Mesoscopic levels
Molecular chirality
Structural identification
Structural information
De Novo Design and Facile Synthesis of Highly Crystalline 2D Conductive Metal-Organic Frameworks: A "Rotor-Stator" Strategy
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2024, 卷号: 146, 期号: 13, 页码: 9036-9044
作者:
Su, Xi
;
Zhong, Zhiye
;
Yan, Xiaoli
;
Xu, Yunpeng
;
Zhang, Ting
Adobe PDF(7747Kb)
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浏览/下载:386/6
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提交时间:2024/04/12
Carrier mobility
Chelation
Crystal structure
Crystalline materials
Crystallinity
Ligands
Metal-Organic Frameworks
Charge-carrier mobility
De novo design
Design strategies
Design synthesis
Facile synthesis
High electrical conductivity
Metalorganic frameworks (MOFs)
Molecular design
Stator structure
Two-dimensional
A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region
期刊论文
JOURNAL OF STRUCTURAL BIOLOGY;, 2023, 卷号: 215, 期号: 2
作者:
Jiang, Hao
;
Zu, Shijia
;
Lu, Yu
;
Sun, Zhongya
;
Adeerjiang, Akejiang
Adobe PDF(8016Kb)
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收藏
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浏览/下载:295/0
|
提交时间:2023/03/24
Allosteric pocket
Crystal structures of RhoA
Dynamics of switch II
Molecular dynamics simulations
Small GTPases
Synthesis and Unexpected Optical Properties of Ionic Phosphorus Heterocycles with P-Regulated Noncovalent Interactions
期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2023
作者:
Yang, Zi
;
Li, Xinyu
;
Yang, Kai
;
Yu, Na
;
Gao, Rong
Adobe PDF(5918Kb)
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浏览/下载:381/2
|
提交时间:2023/03/10
Alkylation
Blue shift
Chemical bonds
Chromophores
Crystal structure
Emission spectroscopy
Ions
Methylation
Molecular orbitals
Red Shift
Single crystals
Absorption and emission spectra
Nitrogen atom
Non-covalent interaction
Optoelectronics property
Organic chromophores
P-heterocycles
Phosphorus heterocycles
Single-crystal structure
Solvent molecules
Synthesised
Crystal structure of a constitutive active mutant of adenosine A(2A) receptor
期刊论文
IUCRJ, 2022, 卷号: 9
作者:
Cui, Min
;
Zhou, Qingtong
;
Xu, Yueming
;
Weng, Yuan
;
Yao, Deqiang
Adobe PDF(1345Kb)
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收藏
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浏览/下载:2321/658
|
提交时间:2022/05/31
constitutive active mutants
adenosine A(2A) receptors
crystal structures
hydrophilic interaction networks
molecular dynamics
G-protein-coupled receptors
agonists
Elastic Properties of High-Symmetry Sb4O6Cage-Molecular Crystal
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, 卷号: 12, 期号: 37, 页码: 9011-9019
作者:
Wu, Congcong
;
Peng, Jun
;
Pu, Weiwen
;
Lu, Shengnan
;
Zhang, Chao
Adobe PDF(5850Kb)
|
收藏
|
浏览/下载:554/3
|
提交时间:2021/12/03
Crystal symmetry
Elastic moduli
Molecular crystals
Tensile strain
Van der Waals forces
Bending plates
Cage likes
Cubic phase
Elastic properties
High quality
High symmetry
Linear behavior
Temperature stable
Van der Waal
Van der Waal bonds
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