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Copper-catalyzed aerobic photodecarboxylation of carboxylic acids to aldehydes and ketones
期刊论文
GREEN SYNTHESIS AND CATALYSIS, 2025
作者:
Yonghuan Wang(王永欢)
;
Biping Xu
;
Xuan Xiao
;
Xiaoming Jie
;
Weiping Su
Adobe PDF(935Kb)
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浏览/下载:32/3
|
提交时间:2025/04/14
Copper-catalyzed
Decarboxylative oxygenation
Aerobic
Ligand-to-metal charge transfer
Aldehydes and ketones
Ligand Modulation in Metal-Organic Frameworks Derived Regenerable Oxygen Evolution Electrocatalysts
期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2025
作者:
Wang, Xiao
;
Peng, Zheng
;
Zhou, Wei
;
Chen, Xiaokang
;
Tan, Yi
Adobe PDF(4356Kb)
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收藏
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浏览/下载:67/7
|
提交时间:2025/03/31
Electrocatalysis
Ligand modulation
Metal-organic Framework
Oxygen evolution
Reconstruction
MAI-TargetFisher: A proteome-wide drug target prediction method synergetically enhanced by artificial intelligence and physical modeling
期刊论文
ACTA PHARMACOLOGICA SINICA, 2025
作者:
Li, Shiwei
;
Ren, Pengxuan
;
Wang, Lin
;
Han, Qilei
;
Li, Fenglei
Adobe PDF(2877Kb)
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浏览/下载:336/3
|
提交时间:2024/12/02
target identification
deep-learning
binding site identification
ligand-based searching
reverse docking
Surface hydroxylation engineering to boost oxygen evolution reaction on IrO
2
/TiO
2
for PEM water electrolyzer
期刊论文
APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY, 2024, 卷号: 358
作者:
Yang, Chenlu
;
Ling, Wenhui
;
Zhu, Yanping
;
Yang, Yunxiao
;
Dong, Shu
Adobe PDF(8587Kb)
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浏览/下载:359/16
|
提交时间:2024/08/23
Acidic OER
High-valence iridium dynamic evolution
OH ligand effect
High performance PEMWE
Alkali metal carboxylates as non-polar-facet ligands for the synthesis of colloidal quantum dots
期刊论文
NANO RESEARCH, 2024
作者:
Luo, Li
;
Zhou, Xiaolan
;
Xu, Xiaozhi
;
Zhao, Zhuo
;
Pu, Chaodan
Adobe PDF(3093Kb)
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收藏
|
浏览/下载:193/7
|
提交时间:2024/11/04
quantum dots
ligand
alkali metal carboxylates
crystal structure
anisotropic growth
A Polymeric Phosphorus Ligand for the Synthesis of Herbicide Rinskor
期刊论文
ACTA CHIMICA SINICA, 2024, 卷号: 82, 期号: 9, 页码: 940-953
作者:
Dong, Wenfeng
;
Wang, Nan
;
Yang, He
Adobe PDF(1277Kb)
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浏览/下载:162/2
|
提交时间:2024/11/04
polymeric phosphorus ligand
Suzuki-Miyaura coupling
homogeneous catalysis
heterogeneous recycling
Binding adaptability of chemical ligands to polymorphic α-synuclein amyloid fibrils
期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2024, 卷号: 121, 期号: 35, 页码: e2321633121
作者:
Liu, Kaien
;
Tao, Youqi
;
Zhao, Qiuyue
;
Xia, Wencheng
;
Li, Xiang
Adobe PDF(12416Kb)
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|
浏览/下载:360/10
|
提交时间:2024/08/26
alpha- synuclein
amyloid fibril
polymorphism
protein-ligand interaction
chemical ligands
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
|
提交时间:2024/09/08
cellular-level molecular activity modeling
conformational space
drug discovery
ligand-based virtual screening
molecular representation learning
Zirconaaziridine-Mediated Ni-Catalyzed Diastereoselective C(sp
2
)-Glycosylation
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2024, 卷号: 146, 期号: 24, 页码: 16753-16763
作者:
Gan, Yu
;
Zhou, Jun-Feng
;
Li, Xuejiao
;
Liu, Ji-Ren
;
Liu, Fang-Jie
Adobe PDF(3878Kb)
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浏览/下载:227/3
|
提交时间:2024/07/02
Binary alloys
Catalysis
Scaffolds
Stereoselectivity
Zircaloy
Aglycones
Catalytic formation
Chiral ligand
Diastereoselective
Glycosidic bond
Glycosylations
Inherent chiralities
Nickel catalysis
Organic synthesis
Stereoselective formation
Generic protein-ligand interaction scoring by integrating physical prior knowledge and data augmentation modelling
期刊论文
NATURE MACHINE INTELLIGENCE, 2024, 卷号: 6, 期号: 6, 页码: 688-700
作者:
Cao, Duanhua
;
Chen, Geng
;
Jiang, Jiaxin
;
Yu, Jie
;
Zhang, Runze
Adobe PDF(3326Kb)
|
收藏
|
浏览/下载:202/0
|
提交时间:2024/06/17
Graph neural networks
Lead compounds
Proteins
Data augmentation
Data-driven methods
Docking methods
Graph neural networks
Heterogeneous graph
Prior-knowledge
Protein-ligand interactions
Robust methods
Standing problems
Training data
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