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上海药物研究所 [171]
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期刊论文 [171]
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2021 [9]
2020 [21]
2019 [10]
2018 [13]
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2016 [11]
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Chemistry [9]
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Picture-word order compound protein interaction: Predicting compound-protein interaction using structural images of compounds
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2021, 页码: 10
作者:
Qian, Ying
;
Li, Xuelian
;
Wu, Jian
;
Zhou, Aimin
;
Xu, Zhijian
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2022/01/04
compound-protein interaction
convolutional neural network (CNN)
drug-drug interaction
image processing
structural images
2Ch-2N Square Chalcogen Bonds between Pairs of Radicals: A Case Study of 1,2,3,5-Dichalcogenadiazolyl Derivatives
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2021, 卷号: 125, 期号: 39, 页码: 8572-8580
作者:
Wen, Congtao
;
Shi, Yulong
;
Lu, Yunxiang
;
Xu, Zhijian
;
Liu, Honglai
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2021/12/01
Computational study of halogen-halogen interactions in polyhalide ionic liquids
期刊论文
STRUCTURAL CHEMISTRY, 2021, 页码: 9
作者:
Xu, Yanmin
;
Zhang, Jiaqiang
;
Yang, La
;
Zhang, Yifei
;
Xu, Zhijian
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/11/04
Polyhalide ionic liquids
Interhalogen interactions
Bond energies
Computational
Forrestiacids A and B, Pentaterpene Inhibitors of ACL and Lipogenesis: Extending the Limits of Computational NMR Methods in the Structure Assignment of Complex Natural Products
期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2021, 页码: 7
作者:
Xiong, Juan
;
Zhou, Peng-Jun
;
Jiang, Hao-Wen
;
Huang, Ting
;
He, Yu-Hang
收藏
  |  
浏览/下载:89/0
  |  
提交时间:2021/11/04
forrestiacids
lipogenesis inhibitors
natural products
structure elucidation
terpenoids
Sinusiaetone A, an Anti-inflammatory Norditerpenoid with a Bicyclo[11.3.0]hexadecane Nucleus from the Hainan Soft Coral Sinularia siaesensis
期刊论文
ORGANIC LETTERS, 2021, 卷号: 23, 期号: 15, 页码: 5621-5625
作者:
Chen, Zi-Hui
;
Li, Wang-Sheng
;
Zhang, Zai-Yong
;
Luo, Hui
;
Wang, Jian-Rong
收藏
  |  
浏览/下载:92/0
  |  
提交时间:2021/11/04
Activation pathway of a G protein-coupled receptor uncovers conformational intermediates as targets for allosteric drug design
期刊论文
NATURE COMMUNICATIONS, 2021, 卷号: 12, 期号: 1, 页码: 15
作者:
Lu, Shaoyong
;
He, Xinheng
;
Yang, Zhao
;
Chai, Zongtao
;
Zhou, Shuhua
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2021/11/04
1,2-Difunctionalized bicyclo[1.1.1]pentanes: Long-sought-after mimetics for ortho/ meta-substituted arenes
期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2021, 卷号: 118, 期号: 28, 页码: 5
作者:
Zhao, Jin-Xin
;
Chang, Yu-Xuan
;
He, Chi
;
Burke, Benjamin J.
;
Collins, Michael R.
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  |  
浏览/下载:17/0
  |  
提交时间:2021/11/04
synthesis
medicinal chemistry
bioisosteres
Theoretical study of the interplay between double chalcogen-bonding interactions and halogen bonds in ditopic molecular module systems
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2021, 卷号: 1198, 页码: 10
作者:
Wu, Han
;
Lu, Yunxiang
;
Peng, Changjun
;
Xu, Zhijian
;
Liu, Honglai
收藏
  |  
浏览/下载:78/0
  |  
提交时间:2021/05/24
Double chalcogen bonds
Halogen bonds
Energetic effects
Ditopic modules
Theoretical calculations
Increasing the Sampling Efficiency of Protein Conformational Change by Combining a Modified Replica Exchange Molecular Dynamics and Normal Mode Analysis
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 卷号: 17, 期号: 1, 页码: 13-28
作者:
Peng, Cheng
;
Wang, Jinan
;
Shi, Yulong
;
Xu, Zhijian
;
Zhu, Weiliang
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2021/05/24
A Peptide Binder of E3 Ligase Adaptor SPOP Disrupts Oncogenic SPOP-Protein Interactions in Kidney Cancer Cells
期刊论文
CHINESE JOURNAL OF CHEMISTRY, 2020, 页码: 274-280
作者:
Wang, Zhen
;
Zhang, Hao
;
Chen, Baoen
;
Ouyang, Sisheng
;
Zheng, Tong
收藏
  |  
浏览/下载:124/0
  |  
提交时间:2021/05/24
SPOP
Protein‐
protein interaction
Clear cell Renal Cell Carcinomas
Crystal structure
Peptide inhibitor
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