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科研机构
上海药物研究所 [54]
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期刊论文 [54]
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2021 [5]
2020 [4]
2019 [2]
2018 [5]
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Conformational polymorphs of isotretinoin and their impact on physicochemical and biological properties
期刊论文
INTERNATIONAL JOURNAL OF PHARMACEUTICS, 2021, 卷号: 610, 页码: 10
作者:
Cheng, Yinxiang
;
Rong, Xiaoyi
;
Xia, Mengyuan
;
Zhang, Zaiyong
;
Wang, Jian-Rong
收藏
  |  
浏览/下载:63/0
  |  
提交时间:2022/01/04
Polymorph
Isotretinoin
Stability
Solubility
Bioavailability
Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation
期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2021, 卷号: 118, 期号: 45, 页码: 9
作者:
Liu, Xiao
;
Yang, Su
;
Hart, Jonathan R.
;
Xu, Yingna
;
Zou, Xinyu
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2022/01/04
phosphoinositide 3-kinase (PI3K)
activation
inhibition
activity-dependent conformational changes
Natural product 1,2,3,4,6-penta-O-galloyl-beta-D-glucopyranose is a reversible inhibitor of glyceraldehyde 3-phosphate dehydrogenase
期刊论文
ACTA PHARMACOLOGICA SINICA, 2021, 页码: 13
作者:
Li, Wen
;
Liao, Li-ping
;
Song, Ning
;
Liu, Yan-jun
;
Ding, Yi-luan
收藏
  |  
浏览/下载:81/0
  |  
提交时间:2021/06/11
glyceraldehyde 3-phosphate dehydrogenase
1,2,3,4,6-penta-O-galloyl-beta-D-glucopyranose
hydrogen deuterium exchange mass spectrometry
reversible inhibitor
glycolysis
Natural product 1,2,3,4,6-penta-O-galloyl-beta-D-glucopyranose is a reversible inhibitor of glyceraldehyde 3-phosphate dehydrogenase
期刊论文
ACTA PHARMACOLOGICA SINICA, 2021, 页码: 13
作者:
Li, Wen
;
Liao, Li-ping
;
Song, Ning
;
Liu, Yan-jun
;
Ding, Yi-luan
收藏
  |  
浏览/下载:81/0
  |  
提交时间:2021/06/11
glyceraldehyde 3-phosphate dehydrogenase
1,2,3,4,6-penta-O-galloyl-beta-D-glucopyranose
hydrogen deuterium exchange mass spectrometry
reversible inhibitor
glycolysis
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:26/0
  |  
提交时间:2020/12/21
Exploring Conformational Change of Adenylate Kinase by Replica Exchange Molecular Dynamic Simulation
期刊论文
BIOPHYSICAL JOURNAL, 2020, 卷号: 118, 期号: 5, 页码: 1009-1018
作者:
Wang, Jinan
;
Peng, Cheng
;
Yu, Yuqu
;
Chen, Zhaoqiang
;
Xu, Zhijian
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  |  
浏览/下载:42/0
  |  
提交时间:2020/07/01
Molecular dynamics simulation revealed the intrinsic conformational change of cellular inhibitor of apoptosis protein-1
期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020, 卷号: 38, 期号: 4, 页码: 975-984
作者:
Xu, Heng
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  |  
浏览/下载:40/0
  |  
提交时间:2020/07/01
cIAP1
dimerization
conformational change
MD simulation
A molecular switch regulating transcriptional repression and activation of PPAR gamma
期刊论文
NATURE COMMUNICATIONS, 2020, 卷号: 11, 期号: 1, 页码: 14
作者:
Shang, Jinsai
;
Mosure, Sarah A.
;
Zheng, Jie
;
Brust, Richard
;
Bass, Jared
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2020/12/24
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
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