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167,467
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在所有数据库中总计命中:
210,599
条
1.
Effect of solvent model when probing protein
dynamics
with molecular
dynamics
作者:
Samuel Genheden
samuel.genheden@gu.se
关键词:
Molecular
dynamics
;
Order parameters
;
Protein
dynamics
;
Implicit solvent
;
Coarse-graining
刊名:Journal of Molecular Graphics and Modelling
出版年:2017
2.
Dynamics
of hydrated proteins and bio-protectants: Caged
dynamics
, β-relaxation, and α-relaxation
作者:
K.L. Ngai
a
;
kia.ngai@pi.ipcf.cnr.it
;
kiangai@yahoo.com
;
S. Capaccioli
a
;
b
;
A. Paciaroni
c
关键词:
Hydrated protein
dynamics
;
Neutron scattering
;
Protein dynamical transition
;
Secondary relaxation of hydration water
;
Myoglobin
;
Lysozyme
;
Bovine serum albumin
;
Bio-protectants
刊名:Biochimica et Biophysica Acta (BBA) - General Subjects
出版年:2017
3.
Reliable Molecular
Dynamics
: Uncertainty quantification using interval analysis in molecular
dynamics
simulation
作者:
Anh V. Tran
;
Yan Wang
;
yan.wang@me.gatech.edu
;
prof.yan.wang@gmail.com
关键词:
Molecular
dynamics
;
Interatomic potential
;
Uncertainty quantification
;
Interval analysis
刊名:Computational Materials Science
出版年:2017
4.
Development of an innovative integrated model for the simulation of nitrogen
dynamics
in farmlands with drainage
system
s using the
system
dynamics
approach
作者:
Mohammad Mehdi Matinzadeh
a
;
m.matinzadeh@ag.iut.ac.ir
;
Jahangir Abedi Koupai
b
;
koupai@cc.iut.ac.ir
;
Adnan Sadeghi-Lari
c
;
adnansadeghi@yahoo.com
;
Hamed Nozari
d
;
hanozari@yahoo.com
;
Mohammad Shayannejad
a
;
shayannejad@cc.iut.ac.ir
关键词:
Nitrogen simulation model
;
Subsurface drainage
system
;
System
dynamics
approach
;
Drainage water quality modeling
刊名:Ecological Modelling
出版年:2017
5.
Dynamics
of the EAG1 K
+
channel selectivity filter assessed by molecular
dynamics
simulations
作者:
Harald Bernsteiner
1
;
Michael Brü
;
ndl
1
;
Anna Stary-Weinzinger
;
anna.stary@univie.ac.at
关键词:
Molecular
dynamics
simulation
;
KCNH1 channel
;
Ion binding sites
;
Y464A mutant
;
Na+ binding sites
;
C-type inactivation
刊名:Biochemical and Biophysical Research Communications
出版年:2017
6.
Coupled computational fluid
dynamics
/multibody
dynamics
method for wind turbine aero-servo-elastic simulation including drivetrain
dynamics
作者:
Y. Li
a
;
A.M. Castro
a
;
J.E. Martin
a
;
T. Sinokrot
b
;
W. Prescott
b
;
P.M. Carrica
a
;
pablo-carrica@uiowa.edu" class="auth_mail" title="E-mail the corresponding author
关键词:
Computational fluid
dynamics
;
Multibody
dynamics
;
Drivetrain
dynamics
;
Servo-control
;
Wind turbulence
;
Wake flow
刊名:Renewable Energy
出版年:2017
7.
A combined EPR and MD simulation study of a nitroxyl spin label with restricted internal mobility sensitive to protein
dynamics
作者:
Vasily S. Oganesyan
;
v.oganesyan@uea.ac.uk
;
Fatima Chami
;
Gaye F. White
;
Andrew J. Thomson
关键词:
EPR spectroscopy
;
Spin labels
;
Molecular
dynamics
simulations
;
MTSL
;
Protein
dynamics
刊名:Journal of Magnetic Resonance
出版年:2017
8.
A distributed
dynamics
for virus-spread control
作者:
Eduardo Ramí
;
rez-Llanos
ejr003@ucsd.edu
Author Vitae
;
Sonia Martí
;
nez
soniamd@ucsd.edu
Author Vitae
关键词:
Distributed control
;
Spreading
dynamics
;
Replicator
dynamics
刊名:Automatica
出版年:2017
9.
Understanding the role of
dynamics
in the iron sulfur cluster molecular machine
作者:
Danilo di Maio
a
;
b
;
Balasubramanian Chandramouli
a
;
b
;
Robert Yan
c
;
Giuseppe Brancato
a
;
b
;
giuseppe.brancato@sns.it
;
Annalisa Pastore
c
;
d
;
annalisa.pastore@crick.ac.uk
关键词:
NMR
;
nuclear magnetic resonance
;
MD
;
molecular
dynamics
;
PCA
;
principal component analysis
;
ED
;
essential
dynamics
;
RMSD
;
root-mean square deviation
;
RMSF
;
root-mean-square fluctuation
刊名:Biochimica et Biophysica Acta (BBA) - General Subjects
出版年:2017
10.
WavePacket: A Matlab package for numerical quantum
dynamics
. I: Closed quantum
system
s and discrete variable representations
作者:
Burkhard Schmidt
a
;
burkhard.schmidt@fu-berlin.de
;
Ulf Lorenz
b
;
ulf@wavepacket.org
关键词:
Schrö
;
dinger equation
;
Quantum
dynamics
;
Numerical propagation
;
Bound states
;
Discrete variable representation
;
Non-adiabatic transitions
刊名:Computer Physics Communications
出版年:2017
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