Coupling of solvent and solute dynamics—molecular dynamics simulations of aqueous urea solutions with different intramolecular potentials

Bernd Kallies

doi:10.1039/b105836n

Coupling of solvent and solute dynamics—molecular dynamics simulations of aqueous urea solutions with different intramolecular potentials

Physical Chemistry Chemical Physics ◽

10.1039/b105836n ◽

2001 ◽

Vol 4 (1) ◽

pp. 86-95 ◽

Cited By ~ 35

Author(s):

Bernd Kallies

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Aqueous Urea ◽

Solute Dynamics ◽

Dynamics Simulations

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Molecular Dynamics Simulations of End-to-End Contact Formation in Hydrocarbon Chains in Water and Aqueous Urea Solution

Journal of the American Chemical Society ◽

10.1021/ja020496f ◽

2003 ◽

Vol 125 (7) ◽

pp. 1950-1957 ◽

Cited By ~ 102

Author(s):

Raymond D. Mountain ◽

D. Thirumalai

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Urea Solution ◽

Contact Formation ◽

Hydrocarbon Chains ◽

Aqueous Urea ◽

End To End ◽

Dynamics Simulations ◽

Aqueous Urea Solution

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Molecular Dynamics Simulations of 2 m Aqueous Urea Solutions

The Journal of Physical Chemistry ◽

10.1021/j100084a046 ◽

1994 ◽

Vol 98 (33) ◽

pp. 8224-8233 ◽

Cited By ~ 41

Author(s):

P.-O. Aastrand ◽

A. Wallqvist ◽

G. Karlstroem

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Aqueous Urea ◽

Dynamics Simulations

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The structural properties of magainin in water, TFE/water, and aqueous urea solutions: Molecular dynamics simulations

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.21293 ◽

2007 ◽

Vol 67 (4) ◽

pp. 931-940 ◽

Cited By ~ 20

Author(s):

Faramarz Mehrnejad ◽

Hossein Naderi-Manesh ◽

Bijan Ranjbar

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structural Properties ◽

Aqueous Urea ◽

Dynamics Simulations

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Molecular dynamics simulations of aqueous urea solutions: Study of dimer stability and solution structure, and calculation of the total nitrogen radial distribution function GN(r)

The Journal of Chemical Physics ◽

10.1063/1.464306 ◽

1993 ◽

Vol 98 (2) ◽

pp. 1422-1427 ◽

Cited By ~ 30

Author(s):

E. S. Boek ◽

W. J. Briels

Keyword(s):

Molecular Dynamics ◽

Distribution Function ◽

Molecular Dynamics Simulations ◽

Radial Distribution Function ◽

Total Nitrogen ◽

Radial Distribution ◽

Solution Structure ◽

Aqueous Urea ◽

Dynamics Simulations

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Molecular Dynamics Simulations of the Unfolding of Barnase in Water and 8 M Aqueous Urea†

Biochemistry ◽

10.1021/bi970096i ◽

1997 ◽

Vol 36 (24) ◽

pp. 7313-7329 ◽

Cited By ~ 118

Author(s):

Julian Tirado-Rives ◽

Modesto Orozco ◽

William L. Jorgensen

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Aqueous Urea ◽

Dynamics Simulations

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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Cited By ~ 1

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Molecular Dynamics Simulations ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Dynamics Simulations

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ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

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Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

1997 ◽

Vol 101 (27) ◽

pp. 5026-5026

Author(s):

Maija Lahtela ◽

Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations

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Assessment of all-atom potentials for modeling membranes: molecular dynamics simulations of solid and liquid alkanes and crystals of phospholipid fragments

Journal de Chimie Physique ◽

10.1051/jcp/1997941482 ◽

1997 ◽

Vol 94 ◽

pp. 1482-1502 ◽

Cited By ~ 27

Author(s):

DJ Tobias ◽

K Tu ◽

ML Klein

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

Liquid Alkanes

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