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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
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2021/08/17
STING
Small molecule
Binding site
Modulated mechanism
Molecular dynamics simulation
pi-pi stacking interaction
Insight into the inactivation mechanism of soybean Bowman-Birk trypsin inhibitor (BBTI) induced by epigallocatechin gallate and epigallocatechin: Fluorescence, thermodynamics and docking studies.
期刊论文
Food Chemistry, 2019, 卷号: Vol.303, 页码: 125380
作者:
Chen, Z.a
;
Chen, Y.a
;
Xue, Z.a
;
Gao, X.a
;
Jia, Y.a
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/11/21
(−)-Epigallocatechin (EGC) (PubChem CID: 72277)
(−)-Epigallocatechin gallate (EGCG) (PubChem CID: 65064)
Acetic acid (PubChem CID: 176)
Dimethyl sulfoxide (DMSO) (PubChem CID: 679)
EGCG
Inactivation
Interaction mechanism
Molecular docking
Nα-benzoyl-dl-arginine 4-nitroanilide hydrochloride (BAPNA) (PubChem CID: 2724371)
Potassium bromide (PubChem CID: 253877)
Soybean Bowman-Birk trypsin inhibitor
Integrated multi-spectroscopic and molecular modelling techniques to probe the interaction mechanism between salvianolic acid A and alpha-glucosidase
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 218, 页码: 51-61
作者:
Tang, Hongjin
;
Ma, Fei
;
Zhao, Dongsheng
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/11
Salvianolic acid A
alpha-Glucosidase
Interaction mechanism
Molecular
modelling
Investigation of the interaction between salvianolic acid C and xanthine oxidase: Insights from experimental studies merging with molecular docking methods
期刊论文
BIOORGANIC CHEMISTRY, 2019, 卷号: 88
作者:
Tang, Hongjin
;
Zhao, Dongsheng
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/11
Salvianolic acid C
Xanthine oxidase
Interaction mechanism
Molecular
docking
Effect of lignin degradation product sinapyl alcohol on laccase catalysis during lignin degradation
期刊论文
INDUSTRIAL CROPS AND PRODUCTS, 2019, 卷号: 139, 页码: -
作者:
Zheng, YL
;
Guo, M
;
Zhou, QT
;
Liu, HG
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2020/10/16
BOVINE SERUM-ALBUMIN
MOLECULAR DOCKING
BINDING INTERACTION
MECHANISM
PROTEIN
FUNGAL
MODEL
MEDIATORS
BACTERIAL
Deformation mechanisms in nanotwinned γ-TiAl by molecular dynamics simulation
期刊论文
Molecular Simulation, 2018, 卷号: 44, 期号: 18, 页码: 1489-1500
作者:
Hui, Cao
;
Zhiyuan, Rui
;
Wenke, Chen
;
Ruicheng, Feng
;
Changfeng, Yan
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2020/11/14
Cracks
Dislocations (crystals)
Fracture toughness
Piles
Plastic deformation
Reaction kinetics
Textures
Deformation mechanism
Dislocation densities
Dislocation emissions
Interaction of cracks
Molecular dynamics simulations
Nanotwinned
Plastic deformation mechanisms
Twin boundaries
Exploring the Mechanism of Inhibition of Au Nanoparticles on the Aggregation of Amyloid-(16-22) Peptides at the Atom Level by All-Atom Molecular Dynamics
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 6
作者:
Song, Menghua
;
Sun, Yunxiang
;
Luo, Yin
;
Zhu, Yanyan
;
Liu, Yongsheng
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/05
Au nanoparticles
amyloid beta
peptide aggregation
inhibition mechanism
hydrophobic interaction
all-atom molecular dynamics simulations
Size-dependent stability of stacking fault tetrahedron in coherent twin boundary bicrystal: Comparisons among Al, Ni, Cu and Ag
期刊论文
Computational Materials Science, 2018, 卷号: 155, 页码: 256-265
作者:
Wu, Lianping
;
Yu, Wenshan
;
Hu, Shuling
;
Shen, Shengping
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/11/19
Coherent twin
Deformation mechanism
Face-centered-cubic (fcc) metals
Interaction
Interaction mechanisms
Molecular dynamics simulations
Stacking fault energies
Stacking fault tetrahedron
Integrated bioinformatical analysis for identificating the therapeutic targets of aspirin in small cell lung cancer
期刊论文
Journal of Biomedical Informatics, 2018, 卷号: 88, 页码: 20-28
作者:
Gong, Liuyun
;
Zhang, Dan
;
Dong, Yiping
;
Lei, Yutiantian
;
Qian, Yuanjie
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/11/26
Aspirin
Integrated bioinformatical analysis
Molecular mechanism
Protein interaction
Protein targets
Signaling pathways
Small cell lung cancers
Therapeutic targets
Investigating inhibitory activity of novel synthetic sericin peptide on -D-glucosidase: kinetics and interaction mechanism study using a docking simulation
期刊论文
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, 2018, 卷号: 98, 页码: 1502-1510
作者:
Xie, Fan
;
Wang, Shaoyun
;
Zhang, Li
;
Wu, Jinhong
;
Wang, Zhengwu
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/11/21
molecular docking
kinetics of inhibition
-d-glucosidase inhibitor
interaction mechanism
sericin peptide
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