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内部出版物
Wiley电子期刊(6)
ProQuest学位论文(4)
ACS电子期刊(331)
SpringerLink电子期刊(39)
Elsevier电子期刊(184)
在“
SpringerLink电子期刊
”中,
命中:
39
条,耗时:0.040981 秒
在所有数据库中总计命中:
564
条
1.
Thermodynamic and kinetic stability of the Josephin Domain closed arrangement: evidences from
replica
exchange
molecular
dynamics
作者:
Gianvito Grasso
;
Jack A. Tuszynski
;
Umberto Morbiducci
;
Ginevra Licandro…
关键词:
Ataxin
;
Replica
exchange
molecular
dynamics
;
Neurodegenerative
;
Josephin Domain
;
Protein plasticity
;
Kinetics
;
Thermo
dynamics
刊名:Biology Direct
出版年:2017
2.
Absolute binding free energies for octa-acids and guests in SAMPL5
作者:
Florentina Tofoleanu
;
Juyong Lee…
关键词:
Binding free energy simulations
;
Thermodynamic integration
;
Hamiltonian
replica
exchange
;
Bennett acceptance ratio
;
Double decoupling method
;
Molecular
dynamics
simulations
;
GalaxyDock
;
HG
刊名:Journal of Computer-Aided
Molecular
Design
出版年:2017
3.
Absolute binding free energy calculations of CBClip host–guest systems in the SAMPL5 blind challenge
作者:
Juyong Lee
;
Florentina Tofoleanu…
关键词:
Absolute binding free energy calculation
;
Hamiltonian
replica
exchange
;
Thermodynamic integration
;
Bennett’s acceptance ratio
;
Double decoupling scheme
;
Host
;
guest complexes
;
Constant
;
pH simulation
刊名:Journal of Computer-Aided
Molecular
Design
出版年:2017
4.
A combined treatment of hydration and dynamical effects for the modeling of host–guest binding thermo
dynamics
: the SAMPL5 blinded challenge
作者:
Rajat Kumar Pal
;
Kamran Haider
;
Divya Kaur…
关键词:
SAMPL5
;
Hydration Site Analysis (HSA)
;
Debye–Hückel
;
Salt effects
;
AGBNP2
;
BEDAM
刊名:Journal of Computer-Aided
Molecular
Design
出版年:2017
5.
Greedy
replica
exchange
algorithm for heterogeneous computing grids
作者:
Christopher Lockhart
;
James O'Connor
;
Steven Armentrout…
关键词:
Replica
exchange
molecular
dynamics
;
Conformational sampling
;
Distributed grid
;
based simulations
;
Decentralized
replica
management
;
Aβ peptide
刊名:Journal of
Molecular
Modeling
出版年:2015
6.
Opposite effect of Ca2+/Mg2+ ions on the aggregation of native and precursor-derived Aβ42
作者:
Ferenc Bogár
;
Dóra Simon
;
Zsolt Bozsó
;
Tamás Janáky…
关键词:
Alzheimer’s disease
;
Beta
;
amyloid aggregation
;
Divalent metal ions
;
Replica
exchange
molecular
dynamics
刊名:Structural Chemistry
出版年:2015
7.
Predicting Three-Dimensional Conformations of Peptides Constructed of Only Glycine, Alanine, Aspartic Acid, and Valine
作者:
Akifumi Oda
;
Shuichi Fukuyoshi
关键词:
GADV hypothesis
;
Protein structure prediction
;
Secondary structure formation
;
Replica
;
exchange
molecular
dynamics
simulation
刊名:Origins of Life and Evolution of Biospheres
出版年:2015
8.
Identifying ligand binding sites and poses using GPU-accelerated Hamiltonian
replica
exchange
molecular
dynamics
作者:
Kai Wang (1)
John D. Chodera (2)
Yanzhi Yang (1)
Michael R. Shirts (1)
关键词:
Ligand binding
;
Binding site identification
;
Binding mode prediction
;
GPU
;
accelerated
molecular
dynamics
;
Hamiltonian
replica
exchange
;
Free energy calculation
刊名:Journal of Computer-Aided
Molecular
Design
出版年:2013
9.
Study of the aggregation mechanism of polyglutamine peptides using
replica
exchange
molecular
dynamics
simulations
作者:
Miki Nakano (1)
Kuniyoshi Ebina (1)
Shigenori Tanaka (2)
关键词:
Polyglutamine disease
;
Protein aggregation
;
Protein folding
;
Free
;
energy landscape
;
Replica
exchange
molecular
dynamics
simulation
;
Amyloid fibril
刊名:Journal of
Molecular
Modeling
出版年:2013
10.
The intrinsic helical propensities of the helical fragments in prion protein under neutral and low pH conditions: a
replica
exchange
molecular
dynamics
study
作者:
Xiaoliang Lu (1)
Juan Zeng (1)
Ya Gao (1)
John Z. H. Zhang (1) (2)
Dawei Zhang (3)
Ye Mei (1)
关键词:
Prion
;
Helical propensity
;
pH condition
;
Replica
exchange
molecular
dynamics
刊名:Journal of
Molecular
Modeling
出版年:2013
1
2
3
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