中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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福建物质结构研究所 [24]
上海药物研究所 [12]
长春应用化学研究所 [8]
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期刊论文 [66]
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Chemistry [6]
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Discovery of Potent and Selective CB2 Agonists Utilizing a Function-Based Computational Screening Protocol
期刊论文
OAI收割
ACS CHEMICAL NEUROSCIENCE, 2023, 卷号: 14, 期号: 21, 页码: 3941-3958
作者:
Ge, Haixia
;
Ji, Beihong
;
Fang, Jiahui
;
Wang, Jiayang
;
Li, Jing
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2023/12/11
function-based ligand design
receptor-ligandbinding profile
CB1/CB2
structure-activityrelationship
Discovery of pseudolaric acid A as a new Hsp90 inhibitor uncovers its potential anticancer mechanism
期刊论文
OAI收割
BIOORGANIC CHEMISTRY, 2021, 卷号: 112, 页码: 104963
作者:
Liu,Jiangxin
;
Wu,Xing-De
;
Li,Wenyan
;
Yuan,Zaifeng
;
Yang,Kun
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2022/04/02
Pseudolaric acid A
Hsp90 inhibitor
Apoptosis
NMR
Structure-activity relationship
Photoaffinity-based probe
Protein-ligand interaction
MOLECULAR CHAPERONE
PROTEIN
TARGET
CANCER
KINASE
NMR
IDENTIFICATION
SELECTIVITY
BINDING
DESIGN
Heteroaryl Backbone Strategy in Bisphosphine Monoxide Palladium-Catalyzed Ethylene Polymerization and Copolymerization with Polar Monomers
期刊论文
OAI收割
ORGANOMETALLICS, 2019, 卷号: 38, 期号: 15, 页码: 2990-2997
作者:
Ye, Junhao
;
Mu, Hongliang
;
Wang, Zhen
;
Jian, Zhongbao
  |  
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2019/12/18
CHAIN-WALKING POLYMERIZATION
HYPERBRANCHED POLYETHYLENES
INSERTION COPOLYMERIZATION
FUNCTIONAL POLYOLEFINS
NICKEL-CATALYSTS
VINYL MONOMERS
BITE ANGLE
LIGAND
COMPLEXES
DESIGN
Heteroaryl Backbone Strategy in Bisphosphine Monoxide Palladium-Catalyzed Ethylene Polymerization and Copolymerization with Polar Monomers
会议论文
OAI收割
作者:
Ye, Junhao
;
Mu, Hongliang
;
Wang, Zhen
;
Jian, Zhongbao
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2021/12/02
CHAIN-WALKING POLYMERIZATION
HYPERBRANCHED POLYETHYLENES
INSERTION COPOLYMERIZATION
FUNCTIONAL POLYOLEFINS
NICKEL-CATALYSTS
VINYL MONOMERS
BITE ANGLE
LIGAND
COMPLEXES
DESIGN
Application of ITC-Based Characterization of Thermodynamic and Kinetic Association of Ligands With Proteins in Drug Design
期刊论文
OAI收割
FRONTIERS IN PHARMACOLOGY, 2018, 卷号: 9
作者:
Su, Haixia
;
Xu, Yechun
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2019/01/08
ITC
thermodynamics
kinetics
protein-ligand recognition
drug design
Current Strategies and Applications for Precision Drug Design
期刊论文
OAI收割
FRONTIERS IN PHARMACOLOGY, 2018, 卷号: 9
作者:
Wang, Chen
;
Xu, Pan
;
Zhang, Luyu
;
Huang, Jing
;
Zhu, Kongkai
  |  
收藏
  |  
浏览/下载:57/0
  |  
提交时间:2019/01/08
precision medicine
precision drug design
computational modeling
deep learning
antibody-drug conjugates
ligand-targeted conjugates
Recent Trends and Applications of Molecular Modeling in GPCR-Ligand Recognition and Structure-Based Drug Design
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 7
作者:
Yuan, Xiaojing
;
Xu, Yechun
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收藏
  |  
浏览/下载:26/0
  |  
提交时间:2019/01/08
GPCR
receptor-ligand recognition
drug design
molecular modeling
molecular dynamics
docking
binding affinity
binding pathway
Identification and Characterizations of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Scaffold Hopping- and 2D-Molecular Fingerprint-Based Similarity Search
期刊论文
OAI收割
MOLECULES, 2018, 卷号: 23, 期号: 3
作者:
Ding, Hong
  |  
收藏
  |  
浏览/下载:60/0
  |  
提交时间:2019/01/08
SET7
inhibitor
similarity search
ligand-based drug design
chemical biology probe
Asymmetric Synthesis of Aromatic and Heteroaromatic -Amino Acids Using a Recyclable Axially Chiral Ligand
期刊论文
OAI收割
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2016, 期号: 5, 页码: 999-1006
作者:
Li, Jia
;
Zhou, Shengbin
;
Wang, Jiang
;
Kawashima, Aki
;
Moriwaki, Hiroki
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/01/08
Axial chirality
Ligand design
Nickel
Amino acids
Alkylation
Diastereoselectivity
Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization
期刊论文
OAI收割
ACS CATALYSIS, 2016, 卷号: 6, 期号: 1, 页码: 176-185
作者:
Lin, Fei
;
Wang, Xingbao
;
Pan, Yupeng
;
Wang, Meiyan
;
Liu, Bo
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2016/03/14
ligand design
rare-earth metal complexes
styrene polymerization
syndiotactic
DFT calculation