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Specificity of Counterion Binding to a Conjugated Polyelectrolyte: A Combined Molecular Dynamics and NOESY Investigation
Macromolecules
◽
10.1021/acs.macromol.9b02161
◽
2020
◽
Vol 53
(4)
◽
pp. 1119-1128
Author(s):
Gregor Hostnik
◽
Črtomir Podlipnik
◽
Guillaume Mériguet
◽
Janez Cerar
Keyword(s):
Molecular Dynamics
◽
Counterion Binding
◽
Conjugated Polyelectrolyte
Download Full-text
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◽
10.1016/j.bpj.2011.11.3467
◽
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◽
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◽
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◽
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◽
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◽
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Extracting free energies of counterion binding to polyelectrolytes by molecular dynamics simulations
The Journal of Chemical Physics
◽
10.1063/5.0056853
◽
2021
◽
Vol 155
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◽
pp. 114902
Author(s):
Wen-de Tian
◽
Mohsen Ghasemi
◽
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◽
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◽
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◽
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◽
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H4 histone tail mediated DNA-DNA interaction and effects on DNA structure, flexibility, and counterion binding. A molecular dynamics study
Biopolymers
◽
10.1002/bip.20749
◽
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◽
Vol 86
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◽
pp. 409-423
◽
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◽
Lars Nordenskiöld
Keyword(s):
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◽
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◽
Dna Interaction
◽
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◽
Counterion Binding
◽
Structure Flexibility
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Molecular Dynamics Simulation Study of Solvent and State of Charge Effects on Solid-Phase Structure and Counterion Binding in a Nitroxide Radical Containing Polymer Energy Storage Material
The Journal of Physical Chemistry C
◽
10.1021/acs.jpcc.6b07118
◽
2016
◽
Vol 120
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◽
pp. 25639-25646
◽
Cited By ~ 8
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◽
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◽
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◽
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◽
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◽
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◽
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◽
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◽
Storage Material
◽
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◽
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◽
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Nonequilibrium Molecular Dynamics
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◽
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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations
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◽
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◽
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◽
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◽
Ab Initio Molecular Dynamics
◽
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Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations
Molecular Physics
◽
10.1080/00268979709482789
◽
1997
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◽
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◽
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◽
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◽
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◽
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◽
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◽
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◽
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A molecular dynamics study of depolarized interaction induced light scattering in room temperature argon
Molecular Physics
◽
10.1080/00268979709482081
◽
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◽
Vol 92
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◽
pp. 127-134
◽
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Author(s):
VICTOR TEBOUL
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Molecular Dynamics
◽
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◽
Room Temperature
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Molecular dynamics of cyclohexane guest molecules in the cyclohexane/thiourea inclusion compound: an incoherent quasielastic neutron scattering investigation
Molecular Physics
◽
10.1080/00268979809482241
◽
1998
◽
Vol 93
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◽
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◽
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◽
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◽
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◽
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◽
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◽
...
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◽
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◽
Inclusion Compound
◽
Guest Molecules
◽
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◽
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Conformational analysis of liquid dimethyl carbonate by molecular dynamics calculations
Molecular Physics
◽
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◽
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◽
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◽
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