Molecular Dynamics Simulation of Aqueous Urea Solution: Is Urea a Structure Breaker?

Dibyendu Bandyopadhyay; Sadhana Mohan; Swapan K. Ghosh; Niharendu Choudhury

doi:10.1021/jp505147u

Molecular Dynamics Simulation of Aqueous Urea Solution: Is Urea a Structure Breaker?

The Journal of Physical Chemistry B ◽

10.1021/jp505147u ◽

2014 ◽

Vol 118 (40) ◽

pp. 11757-11768 ◽

Cited By ~ 74

Author(s):

Dibyendu Bandyopadhyay ◽

Sadhana Mohan ◽

Swapan K. Ghosh ◽

Niharendu Choudhury

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Urea Solution ◽

Aqueous Urea ◽

Aqueous Urea Solution

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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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Application of conventional molecular dynamics simulation in evaluating the stability of apomyoglobin in urea solution

Scientific Reports ◽

10.1038/srep44651 ◽

2017 ◽

Vol 7 (1) ◽

Cited By ~ 14

Author(s):

Dawei Zhang ◽

Raudah Lazim

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Urea Solution ◽

The Stability

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Solvation of hydrophobic species in aqueous urea solution: a molecular dynamics study

Journal of the American Chemical Society ◽

10.1021/ja00332a006 ◽

1984 ◽

Vol 106 (20) ◽

pp. 5794-5800 ◽

Cited By ~ 98

Author(s):

Robert A. Kuharski ◽

Peter J. Rossky

Keyword(s):

Molecular Dynamics ◽

Urea Solution ◽

Aqueous Urea ◽

Aqueous Urea Solution

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ChemInform Abstract: SOLVATION OF HYDROPHOBIC SPECIES IN AQUEOUS UREA SOLUTION: A MOLECULAR DYNAMICS STUDY

Chemischer Informationsdienst ◽

10.1002/chin.198503060 ◽

1985 ◽

Vol 16 (3) ◽

Author(s):

R. A. KUHARSKI ◽

P. J. ROSSKY

Keyword(s):

Molecular Dynamics ◽

Urea Solution ◽

Aqueous Urea ◽

Aqueous Urea Solution

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Interfaces between a Saturated Aqueous Urea Solution and Crystalline Urea: A Molecular Dynamics Study

The Journal of Physical Chemistry ◽

10.1021/j100057a022 ◽

1994 ◽

Vol 98 (6) ◽

pp. 1674-1681 ◽

Cited By ~ 27

Author(s):

E. S. Boek ◽

W. J. Briels ◽

D. Feil

Keyword(s):

Molecular Dynamics ◽

Urea Solution ◽

Aqueous Urea ◽

Crystalline Urea ◽

Aqueous Urea Solution

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Temperature dependence of the reorientational dynamics and low-frequency response of aqueous urea solutions investigated by femtosecond optical Kerr-effect spectroscopy and molecular-dynamics simulation

Physical Chemistry Chemical Physics ◽

10.1039/b305654f ◽

2003 ◽

Vol 5 (20) ◽

pp. 4666 ◽

Cited By ~ 21

Author(s):

A. Idrissi ◽

P. Bartolini ◽

M. Ricci ◽

R. Righini

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Temperature Dependence ◽

Frequency Response ◽

Kerr Effect ◽

Low Frequency ◽

Dynamics Simulation ◽

Optical Kerr Effect ◽

Aqueous Urea ◽

Reorientational Dynamics

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Interactions of S-peptide analogue in aqueous urea and trimethylamine-N-oxide solutions: A molecular dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/1.4813502 ◽

2013 ◽

Vol 139 (3) ◽

pp. 034504 ◽

Cited By ~ 8

Author(s):

Rahul Sarma ◽

Sandip Paul

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Peptide Analogue ◽

Aqueous Urea

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Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation

Molecular Physics ◽

10.1080/00268979809482256 ◽

1998 ◽

Vol 93 (5) ◽

pp. 703-711

Author(s):

F. AFFOUARD ◽

PH. DEPONDT

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rotational Dynamics ◽

Dynamics Simulation

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Molecular dynamics simulation of the dynamics of supercooled silica

Philosophical Magazine B ◽

10.1080/014186398259374 ◽

1998 ◽

Vol 77 (2) ◽

pp. 297-303 ◽

Cited By ~ 24

Author(s):

J. Horbach, W. Kob, K. Binder

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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ACPD ligands for glutamic receptors : conformational analysis by NMR spectroscopy and molecular dynamics. Simulation in water of glutamic acid analogues containing a cyclopentane ring

Journal de Chimie Physique ◽

10.1051/jcp/1995921809 ◽

1995 ◽

Vol 92 ◽

pp. 1809-1812

Author(s):

V Larue ◽

J Gharby-Benarous ◽

D Todeschi ◽

F Acher ◽

R Azerad ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Glutamic Acid ◽

Dynamics Simulation ◽

Cyclopentane Ring

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