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清华大学 [6]
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四川大学 [3]
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期刊论文 [32]
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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
Structural Insight into the Interactions between Structurally Similar Inhibitors and SIRT6
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2020, 卷号: 21, 期号: 7, 页码: 15
作者:
Zhao, Shuang
;
Zhu, Yan-Yan
;
Wang, Xiao-Yu
;
Liu, Yong-Sheng
;
Sun, Yun-Xiang
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2020/07/01
SIRT6
inhibitor
nature molecule
molecular dynamics simulation
scutellarin
hydrophobic interactions
pi-stacking interactions
binding sites
Computational Insight Into the Small Molecule Intervening PD-L1 Dimerization and the Potential Structure-Activity Relationship
期刊论文
FRONTIERS IN CHEMISTRY, 2019, 卷号: 7, 页码: 15
作者:
Shi, Danfeng
;
An, Xiaoli
;
Bai, Qifeng
;
Bing, Zhitong
;
Zhou, Shuangyan
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2022/01/19
PD-L1
small-molecule inhibitors
molecular dynamics simulation
metadynamics simulation
R-group QSAR
Viscosity calculation of 1-ethyl-3-methyl-imidazolium chloride ionic liquids based on three-body potential hydrogen bond model
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 271, 页码: 550-556
作者:
Jiang, Kun
;
Liu, Xiaomin
;
Huo, Feng
;
Dong, Kun
;
Zhang, Xiaochun
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2019/04/03
Ionic Liquid
Viscosity
Hydrogen Bond
Molecule Dynamics Simulation
Reconstructing Space- and Energy-Dependent Exciton Generation in Solution-Processed Inverted Organic Solar Cells
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2018, 卷号: 10, 页码: 13741-13747
作者:
Wang, Yuheng
;
Zhang, Yajie
;
Lu, Guanghao
;
Feng, Xiaoshan
;
Xiao, Tong
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  |  
浏览/下载:3/0
  |  
提交时间:2019/11/26
optical simulation
inverted devices
organic photovoltaics
light absorption
small molecule solar cells
vertical phase separation
Mechanism and structure studies of cinnamaldehyde/cyclodextrins inclusions by computer simulation and NMR technology.
期刊论文
Carbohydrate polymers, 2018, 卷号: Vol.194, 页码: 294-302
作者:
Sun, QM
;
Tang, PX
;
Zhao, LD
;
Pu, HY
;
Zhai, YM
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/02/25
Cinnamaldehyde
Cyclodextrin
Inclusion mechanism
Molecule dynamical simulation
Structure
Mechanism and structure studies of cinnamaldehyde/cyclodextrins inclusions by computer simulation and NMR technology
期刊论文
Carbohydrate Polymers, 2018, 卷号: Vol.194, 页码: 294-302
作者:
Sun, Q.
;
Tang, P.
;
Zhao, L.
;
Pu, H.
;
Zhai, Y.
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  |  
浏览/下载:2/0
  |  
提交时间:2019/02/25
Cinnamaldehyde
Cyclodextrin
Inclusion
mechanism
Molecule
dynamical
simulation
Structure
Tensile responses of carbon nanotubes-reinforced copper nanocomposites: Molecular dynamics simulation
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 151
作者:
Yan, Yuping
;
Lei, Yinxiang
;
Liu, Sheng
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  |  
浏览/下载:4/0
  |  
提交时间:2019/12/05
Molecule dynamics simulation
Tensile responses
Young's modulus
Carbon nanotubes
Effect of small amount of water on the dynamics properties and microstructures of ionic liquids
期刊论文
AICHE JOURNAL, 2017, 卷号: 63, 期号: 6, 页码: 2248-2256
作者:
Zhou, Jing
;
Liu, Xiaomin
;
Zhang, Suojiang
;
Zhang, Xiangping
;
Yu, Guangren
收藏
  |  
浏览/下载:195/0
  |  
提交时间:2017/09/06
Ionic Liquids
Water
Viscosities
Microstructures
Molecule Dynamics Simulation
Delamination of Na-montmorillonite particles in aqueous solutions and isopropanol under shear forces
期刊论文
Journal of Dispersion Science and Technology, 2017, 卷号: 38, 期号: 8, 页码: 1117-1123
作者:
Li, Hongliang
;
Zhao, Yunliang
;
Song, Shaoxian*
;
Hu, Yang
;
Nahmad, Yuri
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  |  
浏览/下载:32/0
  |  
提交时间:2019/12/04
Delamination
isopropanol
molecule dynamic simulation
Na-montmorillonite
water
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