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期刊论文 [8]
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Molecular dynamics simulations of membrane properties affected by plasma ROS based on the GROMOS force field
期刊论文
BIOPHYSICAL CHEMISTRY, 2019, 卷号: 253
作者:
Hu, Yujia
;
Zhao, Tong
;
Zou, Liang
;
Wang, Xiaolong
;
Zhang, Yuantao
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浏览/下载:8/0
  |  
提交时间:2019/12/11
Cold atmospheric plasma
Sterilization
Reactive oxygen species
Cell
membrane
Molecular dynamics
A molecular dynamics simulation investigation of the relative stability of the cyclic peptide octreotide and its deprotonated and its (cf3)-trp substituted analogs in different solvents
期刊论文
Bioorganic & medicinal chemistry, 2016, 卷号: 24, 期号: 20, 页码: 4936-4948
作者:
Smith, Lorna J.
;
Whitta, Georgia Rought
;
Dolenc, Jozica
;
Wang, Dongqi
;
van Gunsteren, Wilfred F.
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  |  
浏览/下载:19/0
  |  
提交时间:2019/04/23
Octreotide
Peptide
Molecular dynamics simulation
Gromos
Nmr
Performances of Five Representative Force Fields on Gaseous Amino Acids with Different Termini
期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 29, 期号: 2, 页码: 179-186
作者:
Chen, Xin
;
Lin, Zi-jing
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  |  
浏览/下载:11/0
  |  
提交时间:2017/11/10
Conformation
Relative Energies
Correlation Coefficient
Hydrogen Bond
Molecular Mechanics
Advancement of Polarizable Force Field and Its Use for Molecular Modeling and Design
期刊论文
advance in structural bioinformatics, 2015, 卷号: 827, 页码: 19-32
作者:
Xu, Peijun
;
Wang, Jinguang
;
Xu, Yong
;
Chu, Huiying
;
Liu, Jiahui
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  |  
浏览/下载:28/0
  |  
提交时间:2015/11/17
Polarizable force field
AMOEBA
Fluctuating charge model
Induced point dipole model
Molecular modeling
The Slowdown of the Endoglucanase Trichoderma reesei Cel5A-Catalyzed Cellulose Hydrolysis Is Related to Its Initial Activity
期刊论文
BIOCHEMISTRY, 2014, 卷号: 53, 期号: 48, 页码: 7650-7658
作者:
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浏览/下载:18/0
  |  
提交时间:2015/11/02
Molecular dynamics simulations of the lyotropic reverse hexagonal (H-II) of Guerbet branched-chain beta-D-glucoside
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014, 卷号: 16, 期号: 1, 页码: 324-334
Nguan, H
;
Ahmadi, S
;
Hashim, R
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  |  
浏览/下载:17/0
  |  
提交时间:2014/04/25
X-RAY-DIFFRACTION
LIVER MICROSOMAL-MEMBRANES
LIQUID-CRYSTALLINE PHASES
SODIUM DODECYL-SULFATE
SYNTHETIC GLYCOLIPIDS
ASTONISHING DIVERSITY
NATURAL SURFACTANTS
AQUEOUS-SOLUTION
FORCE-FIELD
HII PHASE
Assessing the performance of popular quantum mechanics and molecular mechanics methods and revealing the sequence-dependent energetic features using 100 tetrapeptide models
期刊论文
Journal of chemical theory and computation, 2010, 卷号: 6, 期号: 4, 页码: 1199-1209
作者:
Jiang, Jinliang
;
Wu, Yanbo
;
Wang, Zhi-Xiang
;
Wu, Chun
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  |  
浏览/下载:22/0
  |  
提交时间:2019/05/10
Protein molecular dynamics with electrostatic force entirely determined by a single Poisson-Boltzmann calculation
期刊论文
proteins structure function and genetics, 2002
Lu, BZ
;
Chen, WZ
;
Wang, CX
;
Xu, XJ
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  |  
浏览/下载:3/0
  |  
提交时间:2015/11/11
protein dielectric constant
solvent effect
finite difference stochastic dynamics
insulin dimer
SIMULATIONS
CONTINUUM
HYDRATION
SOLVATION
SOLVENT
MODELS
ION
STABILITY
ENERGY
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