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上海药物研究所 [8]
武汉物理与数学研究所 [6]
上海应用物理研究所 [4]
大连理工大学 [2]
生态环境研究中心 [2]
烟台海岸带研究所 [2]
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期刊论文 [32]
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2019 [32]
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Deciphering molecular mechanism behind conformational change of the Sao Paolo metallo-beta-lactamase 1 by using enhanced sampling
期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2019, 页码: 12
作者:
Chen, Jianzhong
;
Wang, Jinan
;
Pang, Laixue
;
Wang, Wei
;
Zhao, Juan
收藏
  |  
浏览/下载:47/0
  |  
提交时间:2020/07/01
Sao paolo metallo-beta-lactamase-1
REMD simulations
normal mode analysis
principal component analysis
drug resistance of antibiotics
Common activation mechanism of class A GPCRs
期刊论文
ELIFE, 2019, 卷号: 8, 页码: 31
作者:
Zhou, Qingtong
;
Yang, Dehua
;
Wu, Meng
;
Guo, Yu
;
Guo, Wangjing
收藏
  |  
浏览/下载:66/0
  |  
提交时间:2020/07/01
A Novel Allosteric Inhibitor of Phosphoglycerate Mutase 1 Suppresses Growth and Metastasis of Non-Small-Cell Lung Cancer
期刊论文
CELL METABOLISM, 2019, 卷号: 30, 期号: 6, 页码: 1107-+
作者:
Huang, Ke
;
Liang, Qian
;
Zhou, Ye
;
Jiang, Lu-lu
;
Gu, Wei-ming
收藏
  |  
浏览/下载:77/0
  |  
提交时间:2020/07/01
Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays
期刊论文
GENOMICS PROTEOMICS & BIOINFORMATICS, 2019, 卷号: 16, 期号: 6, 页码: 416-427
作者:
Hou, Tingjun
;
Li, Dan
;
Chang, Shan
;
Xu, Lei
;
Sun, Huiyong
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  |  
浏览/下载:265/0
  |  
提交时间:2019/06/24
Androgen receptor
AR ligand
Virtual screening
AR agonist
AR antagonist
Structural characterization of a novel mannogalactoglucan from Fortunella margarita and its simulated digestion in vitro
期刊论文
FOOD AND CHEMICAL TOXICOLOGY, 2019, 卷号: 133, 页码: 110778
作者:
Chen, PL
;
Lin, Y
;
Chen, YY
;
Chang, Q
;
Zheng, BD
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  |  
浏览/下载:32/0
  |  
提交时间:2020/07/08
Polysaccharide fraction
Mannogalactoglucan
Fortunella margarita
Structural characterization
Simulated digestion
Enzyme immobilization in cage-like 3D-network PVA-H and GO modified PVA-H (GO@PVA-H) with stable conformation and high activity
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2019, 卷号: 372, 页码: 946-955
作者:
Yang, Qinxue
;
Yan, Ying
;
Yang, Xiaofang
;
Liao, Guiying
;
Wang, Dongsheng
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2020/09/10
Immobilization
Polyvinyl alcohol hydrogel
Conformation
Graphene oxide
HRP
Importance of Conformational Change in Excited States for Efficient Thermally Activated Delayed Fluorescence
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 32, 页码: 19322-19332
作者:
Zhang, Wei
;
Song, Hongwei
;
Kong, Jie
;
Kuang, Zhuoran
;
Li, Meng
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  |  
浏览/下载:81/0
  |  
提交时间:2019/09/30
Discovery of 3,4,6-Trisubstituted Piperidine Derivatives as Orally Active, Low hERG Blocking Akt Inhibitors via Conformational Restriction and Structure-Based Design
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 62, 期号: 15, 页码: 7264-7288
作者:
Dong, Xiaowu
;
Zhan, Wenhu
;
Zhao, Mengting
;
Che, Jinxin
;
Dai, Xiaoyang
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  |  
浏览/下载:30/0
  |  
提交时间:2020/07/01
Membrane-mediated disorder-to-order transition of SNAP25 flexible linker facilitates its interaction with syntaxin-1 and SNARE-complex assembly
期刊论文
FASEB JOURNAL, 2019, 卷号: 33, 期号: 7, 页码: 7985-7994
作者:
Jiang, Xin
;
Zhang, Zeting
;
Cheng, Kai
;
Wu, Qiong
;
Jiang, Ling
收藏
  |  
浏览/下载:62/0
  |  
提交时间:2019/10/14
prefusion state
protein NMR
intrinsically disordered region
circular dichroism
The inhibitory mechanism of aurintricarboxylic acid targeting serine/threonine phosphatase Stp1 in Staphylococcus aureus: insights from molecular dynamics simulations
期刊论文
ACTA PHARMACOLOGICA SINICA, 2019, 卷号: 40, 期号: 6, 页码: 850-858
作者:
Liu, Ting-ting
;
Yang, Teng
;
Gao, Mei-na
;
Chen, Kai-xian
;
Yang, Song
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2020/07/01
antimicrobial resistance
Staphylococcus aureus
serine/threonine phosphatase
aurintricarboxylic acid
molecular dynamics simulations
flap subdomain
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