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科研机构
上海药物研究所 [115]
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期刊论文 [114]
学位论文 [1]
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2021 [6]
2020 [9]
2019 [12]
2018 [9]
2017 [9]
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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
Structures of full-length glycoprotein hormone receptor signalling complexes
期刊论文
NATURE, 2021, 页码: 24
作者:
Duan, Jia
;
Xu, Peiyu
;
Cheng, Xi
;
Mao, Chunyou
;
Croll, Tristan
收藏
  |  
浏览/下载:53/0
  |  
提交时间:2021/11/04
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
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
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  |  
浏览/下载:35/0
  |  
提交时间:2021/11/04
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
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  |  
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
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
Unveiling conformational dynamics changes of H-Ras induced by mutations based on accelerated molecular dynamics
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22, 期号: 37, 页码: 21238-21250
作者:
Chen, Jianzhong
;
Wang, Wei
;
Pang, Laixue
;
Zhu, Weiliang
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  |  
浏览/下载:27/0
  |  
提交时间:2020/12/21
Cryo-electron microscopy structure of the glucagon receptor with a dual-agonist peptide
期刊论文
JOURNAL OF BIOLOGICAL CHEMISTRY, 2020, 卷号: 295, 期号: 28, 页码: 9313-9325
作者:
Chang, Rulue
;
Zhang, Xin
;
Qiao, Anna
;
Dai, Antao
;
Belousoff, Matthew J.
收藏
  |  
浏览/下载:85/0
  |  
提交时间:2020/12/24
glucagon receptor
glucagon-like peptide-1 receptor
dual agonist
cryo-electron microscopy
single particle analysis
structure-function
structural biology
peptide 15 (P15)
metabolic disorder
G protein?coupled receptor (GPCR)
glucagon
GLP-1 receptor
Mechanochemical Activation of Class-B G-Protein-Coupled Receptor upon Peptide-Ligand Binding
期刊论文
NANO LETTERS, 2020, 卷号: 20, 期号: 7, 页码: 5575-5582
作者:
Lo Giudice, Cristina
;
Zhang, Haonan
;
Wu, Beili
;
Alsteens, David
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2020/12/24
Atomic force microscopy
single-molecule force spectroscopy
human glucagon receptor
G-protein-coupled receptors
mechanotransduction
Structural Insight into the Interactions between Structurally Similar Inhibitors and SIRT6
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2020, 卷号: 21, 期号: 7, 页码: 15
作者:
Zhao, Shuang
;
Zhu, Yan-Yan
;
Wang, Xiao-Yu
;
Liu, Yong-Sheng
;
Sun, Yun-Xiang
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2020/07/01
SIRT6
inhibitor
nature molecule
molecular dynamics simulation
scutellarin
hydrophobic interactions
pi-stacking interactions
binding sites
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