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在“
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”中,
命中:
1,464
条,耗时:0.0509444 秒
在所有数据库中总计命中:
9,998
条
1.
Molecular
Docking, Molecular
Dynamics
Simulations, Computational Screening to Design Quorum Sensing Inhibitors Targeting LuxP of
Vibrio harveyi
and Its Biological Evaluation
作者:
Sundaraj Rajamanikandan
;
Jeyaraman Jeyakanthan…
关键词:
Quorum sensing
;
Boronic acid derivatives
;
Molecular
docking
;
Molecular
dynamics
simulations
;
In vitro assays
刊名:Applied Biochemistry and Biotechnology
出版年:2017
2.
Theoretical insights into the effects of molar ratios on stabilities, mechanical properties, and detonation performance of CL-20/HMX cocrystal explosives by
molecular
dynamics
simulation
作者:
Gui-yun Hang
;
Wen-li Yu
;
Tao Wang
;
Jin-tao Wang
;
Zhen Li
关键词:
CL
;
20/HMX cocrystal explosive
;
Mechanical properties
;
Binding energy
;
Detonation performance
;
Materials Studio
;
Molecular
dynamics
刊名:Journal of
Molecular
Modeling
出版年:2017
3.
Molecular
dynamics
study of nitrogen diffusion in nanocrystalline iron
作者:
Naiyer Razmara
;
Roghayeh Mohammadzadeh
关键词:
Nitrogen diffusion
;
Molecular
dynamics
;
Bcc iron
;
Activation energy
刊名:Journal of
Molecular
Modeling
出版年:2017
4.
Molecular
dynamics
simulation of persistent slip bands formation in nickel-base superalloys
作者:
Jian-Feng Huang
;
Zhong-Lai Wang
;
Er-Fu Yang…
关键词:
Persistent slip bands (PSB)
;
molecular
dynamics
;
superalloys
;
computational simulation
;
embedded atom model (EAM)
刊名:International Journal of Automation and Computing
出版年:2017
5.
Molecular
Dynamics
Study of Surface Anisotropy in
\(\hbox {Ag}_{60}\; \hbox {Cu}_{40}\)
Alloy at Nanoscale
作者:
Muhammad Imran
;
Fayyaz Hussain
;
Muhammad Rashid…
关键词:
Molecular
dynamics
(
MD
) simulation
;
surface anisotropy
;
Ag60 Cu40
;
nanorods
刊名:International Journal of Thermophysics
出版年:2017
6.
Molecular
modelling and
molecular
dynamics
of CFTR
作者:
Isabelle Callebaut
;
Brice Hoffmann
;
Pierre Lehn…
关键词:
ABCC7
;
ABC transporte
;
Ion channel
;
Cystic fibrosis
;
Modulators
;
Mutations
刊名:Cellular and
Molecular
Life Sciences
出版年:2017
7.
Molecular
basis and quantitative assessment of TRF1 and TRF2 protein interactions with TIN2 and Apollo peptides
作者:
Umesh Kalathiya
;
Monikaben Padariya
;
Maciej Baginski
关键词:
Shelterin complex
;
Molecular
dynamics
;
TRF1
;
TRF2
;
TIN2
;
Apollo
刊名:European Biophysics Journal
出版年:2017
8.
In silico approach to explore the disruption in the
molecular
mechanism of human hyaluronidase 1 by mutant E268K that directs Natowicz syndrome
作者:
D. Meshach Paul
;
R. Rajasekaran
关键词:
Conformational sampling
;
Lysosomal storage disorder
;
Hyaluronidase
;
Mucopolysaccharidoses
;
Docking
;
Steered
molecular
dynamics
刊名:European Biophysics Journal
出版年:2017
9.
Glycerol revisited
molecular
dynamic simulations of structural, dynamical, and thermodynamic properties
作者:
Monireh B. Moghaddam
;
Elaheh K. Goharshadi…
关键词:
Molecular
dynamics
simulation
;
Glycerol
;
Viscosity
;
Solubility parameters
刊名:Journal of the Iranian Chemical Society
出版年:2017
10.
Molecular
simulation study on K
+
–Cl
−
ion pair in geological fluids
作者:
Mengjia He
;
Xiandong Liu
;
Xiancai Lu
;
Rucheng Wang
关键词:
Molecular
dynamics
;
KCl
;
Potential of mean force
;
Association constant
;
Geometry optimization
刊名:Acta Geochimica
出版年:2017
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