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科研机构
北京大学 [2]
近代物理研究所 [2]
力学研究所 [1]
复旦大学上海医学院 [1]
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期刊论文 [6]
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2022 [1]
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2020 [1]
2015 [1]
2012 [1]
2010 [1]
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Interplay of receptor-ligand binding and lipid domain formation during cell adhesion
期刊论文
FRONTIERS IN MOLECULAR BIOSCIENCES, 2022, 卷号: 9, 页码: 1019477
作者:
Li L(李龙)
;
Hu, Jinglei
;
Rozycki, Bartosz
;
Ji, Jing
;
Song F(宋凡)
收藏
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浏览/下载:26/0
  |  
提交时间:2022/10/23
cell adhesion
receptor-tigand binding
lipid domain formation
binding affinity
binding cooperativity
phase separation
Insights into the molecular mechanism of positive cooperativity between partial agonist MK-8666 and full allosteric agonist AP8 of hGPR40 by Gaussian accelerated molecular dynamics (GaMD) simulations
期刊论文
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, 2021, 卷号: 19, 页码: 3978-3989
作者:
An, Xiaoli
;
Bai, Qifeng
;
Bing, Zhitong
;
Liu, Huanxiang
;
Yao, Xiaojun
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  |  
浏览/下载:12/0
  |  
提交时间:2021/12/08
hGPR40
Positive binding cooperativity
Partial agonist
AgoPAM
Gaussian accelerated molecular dynamics simulation
Revealing the Positive Binding Cooperativity Mechanism between the Orthosteric and the Allosteric Antagonists of CCR2 by Metadynamics and Gaussian Accelerated Molecular Dynamics Simulations
期刊论文
ACS CHEMICAL NEUROSCIENCE, 2020, 卷号: 11, 期号: 4, 页码: 628-637
作者:
An, Xiaoli
;
Bai, Qifeng
;
Bing, Zhitong
;
Liu, Hongli
;
Zhang, Qianqian
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  |  
浏览/下载:21/0
  |  
提交时间:2022/01/18
CC chemokine receptor 2
orthosteric antagonist
allosteric antagonist
binding cooperativity
metadynamics simulation
Gaussian accelerated MD simulation
Substrate binding accelerates the conformational transitions and substrate dissociation in multidrug efflux transporter AcrB
期刊论文
Frontiers in Microbiology, 2015, 卷号: 6
作者:
Wang, Beibei/55729729700[0]
;
Weng, Jingwei/23468216700[1]
;
Wang, Wenning/55344993800[2]
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  |  
浏览/下载:1/0
  |  
提交时间:2019/12/19
AcrB
Allosteric effect
Drug extrusion
MD simulation
Positive cooperativity
Substrate binding
Conformational Spread in the Flagellar Motor Switch: A Model Study
期刊论文
plos computational biology, 2012
Ma, Qi
;
Nicolau, Dan V., Jr.
;
Maini, Philip K.
;
Berry, Richard M.
;
Bai, Fan
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浏览/下载:2/0
  |  
提交时间:2015/11/11
RESPONSE REGULATOR CHEY
BACTERIAL CHEMOTAXIS
COOPERATIVITY
PROTEINS
BINDING
Folding Simulations of a De Novo Designed Protein with a beta alpha beta Fold
期刊论文
biophysical journal, 2010
Qi, Yifei
;
Huang, Yongqi
;
Liang, Huanhuan
;
Liu, Zhirong
;
Lai, Luhua
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  |  
浏览/下载:7/0
  |  
提交时间:2015/11/12
SUBUNIT-BINDING DOMAIN
FREE-ENERGY LANDSCAPE
MOLECULAR-DYNAMICS
TRP-CAGE
KINETIC COOPERATIVITY
NATIVE TOPOLOGY
SPEED LIMIT
B-DOMAIN
MODEL
TRANSITION
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