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科研机构
上海药物研究所 [192]
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期刊论文 [192]
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2021 [11]
2020 [10]
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内容类型:期刊论文
专题:上海药物研究所
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Distal mutation V486M disrupts the catalytic activity of DPP4 by affecting the flap of the propeller domain
期刊论文
ACTA PHARMACOLOGICA SINICA, 2021, 页码: 9
作者:
Li, Teng-teng
;
Peng, Cheng
;
Wang, Ji-qiu
;
Xu, Zhi-jian
;
Su, Ming-bo
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2022/01/18
DPP4
distal mutation
enzymatic activity
molecular dynamics simulation
structure-function mechanism
Synthesis and biological evaluation of 2,5-diaryl-1,3,4-oxadiazole derivatives as novel Src homology 2 domain-containing protein tyrosine phosphatase 2 (SHP2) inhibitors
期刊论文
BIOORGANIC CHEMISTRY, 2021, 卷号: 116, 页码: 13
作者:
Meng, Xiang-Dong
;
Gao, Li-Xin
;
Wang, Zhi-Jia
;
Feng, Bo
;
Zhang, Chun
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2021/12/01
2,5-diphenyl-1,3,4-oxadiazole derivatives
SHP2
Inhibitors
Structure-activity relationships (SAR)
Exploring the Regulatory Function of the N-terminal Domain of SARS-CoV-2 Spike Protein through Molecular Dynamics Simulation
期刊论文
ADVANCED THEORY AND SIMULATIONS, 2021, 页码: 13
作者:
Li, Yao
;
Wang, Tong
;
Zhang, Juanrong
;
Shao, Bin
;
Gong, Haipeng
收藏
  |  
浏览/下载:50/0
  |  
提交时间:2021/11/04
"wedge" effect
molecular dynamics simulations
N-terminal domain
SARS-CoV-2
Spike protein
Structural basis of ketamine action on human NMDA receptors
期刊论文
NATURE, 2021, 卷号: 596, 期号: 7871, 页码: 301-+
作者:
Zhang, Youyi
;
Ye, Fei
;
Zhang, Tongtong
;
Lv, Shiyun
;
Zhou, Liping
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2021/11/04
Molecular insights into differentiated ligand recognition of the human parathyroid hormone receptor 2
期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2021, 卷号: 118, 期号: 32, 页码: 8
作者:
Wang, Xi
;
Cheng, Xi
;
Zhao, Lihua
;
Wang, Yuzhe
;
Ye, Chenyu
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2021/11/04
parathyroid hormone receptor 2
cryo-electron microscopy
G protein-coupled receptor
ligand recognition
syndromic short stature
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
Molecular simulation studies of the interactions between the human/ pangolin/cat/bat ACE2 and the receptor binding domain of the SARS-CoV-2 spike protein
期刊论文
BIOCHIMIE, 2021, 卷号: 187, 页码: 1-13
作者:
Ma, Shaojie
;
Li, Hui
;
Yang, Jun
;
Yu, Kunqian
收藏
  |  
浏览/下载:68/0
  |  
提交时间:2021/08/17
SARS-CoV-2
ACE2
Molecular simulation
Binding energy
Animal hosts
Discovery, Structure-Activity Relationship, and Mechanistic Studies of 1-((3R,4S)-3-((Dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl)-2-(2,4,5-trifluorophenyl)ethan-1-one as a Novel Potent Analgesic
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 64, 期号: 13, 页码: 9458-9483
作者:
Huang, Huoming
;
Li, Xueping
;
Xie, Peng
;
Li, Xinwei
;
Xu, XueJun
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2021/08/17
Molecular Dynamics Simulations Reveal the Modulated Mechanism of STING Conformation
期刊论文
INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2021, 页码: 15
作者:
Chen, Li
;
Zhao, Shuang
;
Zhu, Yanyan
;
Liu, Yongsheng
;
Li, Huiyu
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2021/08/17
STING
Small molecule
Binding site
Modulated mechanism
Molecular dynamics simulation
pi-pi stacking interaction
Molecular Dynamics Simulations Based on 1-Phenyl-4-Benzoyl-1-Hydro-Triazole ERR alpha Inverse Agonists
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2021, 卷号: 22, 期号: 7, 页码: 14
作者:
Gao, Zhipei
;
Du, Yongli
;
Sheng, Xiehuang
;
Shen, Jingkang
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2021/05/24
ERRα
inverse agonists
1-phenyl-4-benzoyl-1-hydro-triazole
MD simulations
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