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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
过程工程研究所 [5]
长春应用化学研究所 [3]
大连化学物理研究所 [2]
理论物理研究所 [1]
化学研究所 [1]
上海药物研究所 [1]
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OAI收割 [15]
内容类型
期刊论文 [15]
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2021 [1]
2017 [1]
2016 [3]
2015 [2]
2013 [1]
2012 [3]
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Physics [1]
物理化学 [1]
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Dynamic folding modulation generates FGF21 variant against diabetes
期刊论文
OAI收割
EMBO REPORTS, 2021, 卷号: 22
作者:
Zhu, Lei
;
Zhao, Hongxin
;
Liu, Juanjuan
;
Cai, Hao
;
Wu, Bo
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2021/08/30
anti‐
diabetes
disulfide bond mutation
FGF21
folding dynamics
NMR
Stabilities and Dynamics of Protein Folding Nuclei by Molecular Dynamics Simulation
期刊论文
OAI收割
COMMUNICATIONS IN THEORETICAL PHYSICS, 2017, 卷号: 68, 期号: 1, 页码: 137-148
作者:
Song, YS
;
Zhou, X
;
Zheng, WM
;
Wang, YT
;
Wang, YT (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China.
  |  
收藏
  |  
浏览/下载:78/0
  |  
提交时间:2017/12/21
Protein Folding
Molecular Dynamics Simulation
Structure Prediction
Conformational Dynamics of apo-GlnBP Revealed by Experimental and Computational Analysis
期刊论文
OAI收割
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2016, 卷号: 55, 期号: 45, 页码: 13990-13994
作者:
Feng, Yitao
;
Zhang, Lu
;
Wu, Shaowen
;
Liu, Zhijun
收藏
  |  
浏览/下载:72/0
  |  
提交时间:2017/03/16
conformational dynamics
FRET
molecular dynamics
NMR spectroscopy
protein folding
Simulation of coupled folding and binding of an intrinsically disordered protein in explicit solvent with metadynamics
期刊论文
OAI收割
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2016, 卷号: 68, 期号: JULY, 页码: 114-127
作者:
Han, Mengzhi
;
Xu, Ji
;
Ren, Ying
;
Li, Jinghai
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2016/11/21
Measles virus nucleoprotein
Intrinsically disordered protein
Coupled folding and binding
Molecular dynamics
Metadynamics
Free energy surface
Applying high-performance computing in drug discovery and molecular simulation
期刊论文
OAI收割
NATIONAL SCIENCE REVIEW, 2016, 卷号: 3, 期号: 1, 页码: 49-63
作者:
Liu, Tingting
;
Lu, Dong
;
Zhang, Hao
;
Zheng, Mingyue
;
Yang, Huaiyu
  |  
收藏
  |  
浏览/下载:166/0
  |  
提交时间:2019/01/08
high-performance computing
computational drug discovery and design
virtual screening
molecular dynamics simulation
protein folding
The Universal Statistical Distributions of the Affinity, Equilibrium Constants, Kinetics and Specificity in Biomolecular Recognition
期刊论文
OAI收割
plos computational biology, 2015, 卷号: 11, 期号: 4, 页码: 5493-5497
作者:
Zheng,Xiliang
;
Wang,Jin
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2016/05/12
SINGLE-MOLECULE DYNAMICS
RANDOM-ENERGY-MODEL
PROTEIN-FOLDING FUNNELS
3-HELIX BUNDLE PROTEIN
DRUG DISCOVERY
COMBINATORIAL TECHNOLOGIES
ENZYMATIC DYNAMICS
INTERFACE BINDING
LANDSCAPE MODEL
LIGAND-BINDING
The principle of compromise in competition: exploring stability condition of protein folding
期刊论文
OAI收割
Science Bulletin, 2015, 期号: 1, 页码: 76-85
Xu, J.
;
Han, M. Z.
;
Ren, Y.
;
Li, J. H.
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2015/04/01
Protein folding
Dynamic structure
Multiple mechanisms
Compromise in
competition
Mesoscale
Stability
MOLECULAR-DYNAMICS SIMULATIONS
COMPLEX-SYSTEMS
TRANSACTIVATION DOMAIN
MULTISCALE METHODOLOGY
KIX DOMAIN
PEPTIDE
BINDING
ENERGY
CREB
FLOW
Multiscale simulations of protein folding: application to formation of secondary structures
期刊论文
OAI收割
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2013, 卷号: 31, 期号: 7, 页码: 779-787
作者:
Xu, Ji
;
Ren, Ying
;
Li, Jinghai
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2015/05/05
protein folding
stability
multiscale
compromise
mesoscale
genetic algorithm
molecular dynamics simulation
Molecular dynamics simulation exploration of unfolding and refolding of a ten-amino acid miniprotein
期刊论文
OAI收割
amino acids, 2012, 卷号: 43, 期号: 2, 页码: 557-565
作者:
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2013/10/11
Protein folding
Protein unfolding
Hydrogen bond
Beta-hairpin
Steered molecular dynamics
Identifying the intermediates during the folding/unfolding of protein GB1 with MD simulations
期刊论文
OAI收割
theoretical chemistry accounts, 2012, 卷号: 131, 期号: 5
作者:
Wu, Xiaomin
;
Yang, Gang
;
Zhou, Lijun
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2015/11/09
Protein folding
Molecular dynamics
End-to-end distance
Secondary structure
Tertiary contacts