中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
上海药物研究所 [13]
新疆理化技术研究所 [1]
植物研究所 [1]
采集方式
OAI收割 [15]
内容类型
期刊论文 [15]
发表日期
2022 [2]
2021 [2]
2020 [7]
2019 [3]
2013 [1]
学科主题
Agricultur... [1]
Biotechnol... [1]
Energy & F... [1]
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浏览/检索结果:
共15条,第1-10条
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Chemo- and Site-Selective Lysine Modification of Peptides and Proteins under Native Conditions Using the Water-Soluble Zolinium
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2022, 页码: 14
作者:
Sun, Haiguo
;
Xi, Mengyu
;
Jin, Qiang
;
Zhu, Zhengdan
;
Zhang, Yani
  |  
收藏
  |  
浏览/下载:44/0
  |  
提交时间:2022/09/30
Halogen Bonds Exist between Noncovalent Ligands and Natural Nucleic Acids br
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2022, 卷号: 65, 期号: 6, 页码: 4424-4435
作者:
Mu, Kaijie
;
Zhu, Zhengdan
;
Abula, Amina
;
Peng, Cheng
;
Zhu, Weiliang
  |  
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2022/08/16
Discovery of chiral N-2 '-aryletheryl-1 '-alkoxy-ethyl substituted arylisoquinolones with anti-inflammatory activity from the nucleophilic addition reactions of the thiophenols and oxazolinium
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 222, 页码: 11
作者:
Li, Bo
;
Li, Heng
;
Zhu, Zhengdan
;
Xiang, Caigui
;
Xu, Zhijian
  |  
收藏
  |  
浏览/下载:55/0
  |  
提交时间:2021/11/04
Anti-inflammatory activity
TNF alpha
ER beta
IBD Arylisoquinolones
Ligand-based approach for predicting drug targets and for virtual screening against COVID-19
期刊论文
OAI收割
BRIEFINGS IN BIOINFORMATICS, 2021, 卷号: 22, 期号: 2, 页码: 1053-1064
作者:
Yang, Yanqing
;
Zhu, Zhengdan
;
Wang, Xiaoyu
;
Zhang, Xinben
;
Mu, Kaijie
  |  
收藏
  |  
浏览/下载:45/0
  |  
提交时间:2021/11/24
D3Similarity
COVID-19
target prediction
database
virtual screening
Substitution Effect of the Trifluoromethyl Group on the Bioactivity in Medicinal Chemistry: Statistical Analysis and Energy Calculations
期刊论文
OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 12, 页码: 6242-6250
作者:
Abula, Amina
;
Xu, Zhijian
;
Zhu, Zhengdan
;
Peng, Cheng
;
Chen, Zhaoqiang
  |  
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2021/05/24
Computational Insights into the Conformational Accessibility and Binding Strength of SARS-CoV-2 Spike Protein to Human Angiotensin-Converting Enzyme 2
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2020, 卷号: 11, 期号: 24, 页码: 10482-10488
作者:
Peng, Cheng
;
Zhu, Zhengdan
;
Shi, Yulong
;
Wang, Xiaoyu
;
Mu, Kaijie
  |  
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2021/05/24
Computational study of the substituent effect of halogenated fused-ring heteroaromatics on halogen bonding
期刊论文
OAI收割
JOURNAL OF MOLECULAR MODELING, 2020, 卷号: 26, 期号: 10, 页码: 12
作者:
Zhang, Qihua
;
Smalley, Adam
;
Zhu, Zhengdan
;
Xu, Zhijian
;
Peng, Cheng
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2020/12/21
Halogen bonding
Fused-ring heteroaromatics
Quantum chemistry calculation
sigma-hole
Electrostatic potential
Binding energy
D3Targets-2019-nCoV: a webserver for predicting drug targets and for multi-target and multi-site based virtual screening against COVID-19
期刊论文
OAI收割
ACTA PHARMACEUTICA SINICA B, 2020, 卷号: 10, 期号: 7, 页码: 1239-1248
作者:
Shi, Yulong
;
Zhang, Xinben
;
Mu, Kaijie
;
Peng, Cheng
;
Zhu, Zhengdan
  |  
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2020/12/24
COVID-19
SARS-CoV-2
Target prediction
Multi-conformation
Multi-site
Docking
D3Targets-2019-nCoV
Interaction Nature and Computational Methods for Halogen Bonding: A Perspective
期刊论文
OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 6, 页码: 2683-2696
作者:
Zhu, Zhengdan
;
Xu, Zhijian
;
Zhu, Weiliang
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2020/12/24
Metalloids as halogen bond acceptors: A combined crystallographic data and theoretical investigation
期刊论文
OAI收割
CHEMICAL PHYSICS LETTERS, 2020, 卷号: 745, 页码: 6
作者:
Hong, Yumei
;
Lu, Yunxiang
;
Zhu, Zhengdan
;
Xu, Zhijian
;
Liu, Honglai
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2020/07/01
Metalloids
Halogen bonds
Crystal structures
Theoretical
Pseudohalide ions