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Inhibitor Development for α‑Synuclein Fibril's Disordered Region to Alleviate Parkinson's Disease Pathology
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2024, 卷号: 146, 期号: 41, 页码: 28282-28295
作者:
Zhang, Shenqing
;
Xiang, Huaijiang
;
Tao, Youqi
;
Li, Juan
;
Zeng, Shuyi
Adobe PDF(12245Kb)
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收藏
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浏览/下载:363/12
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提交时间:2024/09/27
Neurodegenerative diseases
Nuclear magnetic resonance spectroscopy
Targeted drug delivery
Amyloid fibril
Disordered regions
EM techniques
High throughput screening
Intrinsically disordered regions
Membrane receptors
Pathological effects
Solid state NMR
Structure-activity relationships
α-synuclein
Conformational Space Profiling Enhances Generic Molecular Representation for AI-Powered Ligand-Based Drug Discovery
期刊论文
ADVANCED SCIENCE, 2024, 卷号: 11, 期号: 40
作者:
Wang, Lin
;
Wang, Shihang
;
Yang, Hao
;
Li, Shiwei
;
Wang, Xinyu
Adobe PDF(4769Kb)
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浏览/下载:468/22
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提交时间:2024/09/08
cellular-level molecular activity modeling
conformational space
drug discovery
ligand-based virtual screening
molecular representation learning
Clickable Selenylation - a Paradigm for Seleno-Medicinal Chemistry
期刊论文
CHEMMEDCHEM, 2022
作者:
Hou, Wei
;
Dong, Hewei
;
Yao, Ying
;
Pan, Kangyin
;
Yang, Guang
Adobe PDF(3763Kb)
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收藏
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浏览/下载:451/1
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提交时间:2022/08/29
Selenium
Parallel Synthesis
DNA-encoded Library
Drug Discovery
Drug screening
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
|
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
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浏览/下载:1145/298
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提交时间:2021/08/16
GLP-1R
virtual screening
allosteric modulator
drug discovery
molecular docking
Screening inhibitors for blocking UHRF1-methylated DNA interaction with capillary electrophoresis
期刊论文
JOURNAL OF CHROMATOGRAPHY A, 2021, 卷号: 1636, 页码: #VALUE!
作者:
Lou, Chunli
;
Ye, Xiongzhen
;
Chen, Ge
;
Zhu, Jidong
;
Kang, Jingwu
Adobe PDF(964Kb)
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收藏
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浏览/下载:377/1
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提交时间:2021/04/01
DNA methylation
UHRF1 inhibitor
Capillary electrophoresis
Drug screening
Three-dimensional bio-printing of primary human hepatocellular carcinoma for personalized medicine
期刊论文
BIOMATERIALS, 2021, 卷号: 265
作者:
Xie, Feihu
;
Sun, Lejia
;
Pang, Yuan
;
Xu, Gang
;
Jin, Bao
Adobe PDF(9651Kb)
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收藏
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浏览/下载:591/0
|
提交时间:2020/12/04
Hepatocellular carcinoma
3D bio-printing
Drug screening
Patient-specific treatment
Application of a 3D Bioprinted Hepatocellular Carcinoma Cell Model in Antitumor Drug Research
期刊论文
FRONTIERS IN ONCOLOGY, 2020, 卷号: 10
作者:
Sun, Lejia
;
Yang, Huayu
;
Wang, Yanan
;
Zhang, Xinyu
;
Jin, Bao
Adobe PDF(4323Kb)
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收藏
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浏览/下载:1058/315
|
提交时间:2020/07/10
3D bio-printing
liver
HCC model
drug screening
anti-tumor drug development
Screening of inhibitors against histone demethylation jumonji domain-containing protein 3 by capillary electrophoresis
期刊论文
JOURNAL OF CHROMATOGRAPHY A, 2020, 卷号: 1613
作者:
Zhang, Yi
;
Lou, Chunli
;
Xu, Yao
;
Li, Jing
;
Qian, Shanshan
Adobe PDF(1175Kb)
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收藏
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浏览/下载:341/0
|
提交时间:2020/03/28
Histone demethylation
Jumonji domain-containing protein 3
Demethylase inhibitor
Capillary electrophoresis
Drug screening
DeepCPI: A Deep Learning-based Framework for Large-scale in silico Drug Screening
期刊论文
GENOMICS PROTEOMICS & BIOINFORMATICS, 2019, 卷号: 17, 期号: 5, 页码: 478-495
作者:
Wan, Fangping
;
Zhu, Yue
;
Hu, Hailin
;
Dai, Antao
;
Cai, Xiaoqing
Adobe PDF(3159Kb)
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收藏
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浏览/下载:283/0
|
提交时间:2020/03/27
Deep learning
Machine learning
Drug discovery
In silico drug screening
Compound-protein interaction prediction
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