Photoinduced Conformational Dynamics of a Photoswitchable Peptide: A Nonequilibrium Molecular Dynamics Simulation Study

Biophysical Journal ◽

10.1529/biophysj.106.084996 ◽

2006 ◽

Vol 91 (4) ◽

pp. 1224-1234 ◽

Author(s):

Phuong H. Nguyen ◽

Roman D. Gorbunov ◽

Gerhard Stock

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Conformational Dynamics ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics Simulation

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Nonpolar solvation dynamics for a nonpolar solute in room temperature ionic liquid: a nonequilibrium molecular dynamics simulation study

Journal of Chemical Sciences ◽

10.1007/s12039-017-1404-1 ◽

2018 ◽

Vol 130 (1) ◽

Author(s):

Sandipa Indra ◽

Snehasis Daschakraborty

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Room Temperature ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Solvation Dynamics ◽

Nonpolar Solvation ◽

Nonequilibrium Molecular Dynamics Simulation

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Nonequilibrium molecular dynamics simulation study on the orientation transition in the amphiphilic lamellar phase under shear flow

The Journal of Chemical Physics ◽

10.1063/1.2400232 ◽

2006 ◽

Vol 125 (21) ◽

pp. 214902 ◽

Author(s):

Hongxia Guo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Lamellar Phase ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics Simulation

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The director and molecular dynamics of the field-induced alignment of a Gay–Berne nematic phase: An isothermal-isobaric nonequilibrium molecular dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/1.3374692 ◽

2010 ◽

Vol 132 (18) ◽

pp. 184903 ◽

Author(s):

Geoffrey R. Luckhurst ◽

Katsuhiko Satoh

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Nematic Phase ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics Simulation

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Kinetics of the shear-induced isotropic-to-lamellar transition of an amphiphilic model system: A nonequilibrium molecular dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/1.2752158 ◽

2007 ◽

Vol 127 (5) ◽

pp. 054902 ◽

Author(s):

Hongxia Guo ◽

Kurt Kremer

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Model System ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

System A ◽

Kinetics Of ◽

Nonequilibrium Molecular Dynamics Simulation

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Molecular Mechanism of Ultrasound-Induced Structural Defects in Liposomes: A Nonequilibrium Molecular Dynamics Simulation Study

Langmuir ◽

10.1021/acs.langmuir.1c00555 ◽

2021 ◽

Author(s):

Viet Hoang Man ◽

Mai Suan Li ◽

Philippe Derreumaux ◽

Junmei Wang ◽

Phuong H. Nguyen

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Molecular Mechanism ◽

Simulation Study ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Structural Defects ◽

Nonequilibrium Molecular Dynamics Simulation

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Exploring the Conformational Dynamics of Alanine Dipeptide in Solution Subjected to an External Electric Field: A Nonequilibrium Molecular Dynamics Simulation

Journal of Chemical Theory and Computation ◽

10.1021/ct400993e ◽

2014 ◽

Vol 10 (4) ◽

pp. 1376-1386 ◽

Author(s):

Han Wang ◽

Christof Schütte ◽

Giovanni Ciccotti ◽

Luigi Delle Site

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Electric Field ◽

External Electric Field ◽

Conformational Dynamics ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Alanine Dipeptide ◽

Nonequilibrium Molecular Dynamics Simulation

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Nonequilibrium Molecular Dynamics Simulation Study of Kinetic Energy and Velocity Distribution Profiles of Argon Gases in Shock Waves

Journal of the Korea Institute of Military Science and Technology ◽

10.9766/kimst.2011.14.1.147 ◽

2011 ◽

Vol 14 (1) ◽

pp. 147-153 ◽

Author(s):

Hyon-Seok Hwang ◽

Ji-Hye Lee ◽

Chan-Ho Kwon ◽

Hong-Lae Kim ◽

Min-Kyu Park ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Kinetic Energy ◽

Shock Waves ◽

Velocity Distribution ◽

Simulation Study ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics Simulation

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Shear-induced parallel-to-perpendicular orientation transition in the amphiphilic lamellar phase: A nonequilibrium molecular-dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/1.2161198 ◽

2006 ◽

Vol 124 (5) ◽

pp. 054902 ◽

Author(s):

Hongxia Guo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Lamellar Phase ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Perpendicular Orientation ◽

Nonequilibrium Molecular Dynamics Simulation

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Nascent Crystallization of a Growing Chain on a Catalyst Surface: A Nonequilibrium Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp8002245 ◽

2008 ◽

Vol 112 (22) ◽

pp. 6753-6761 ◽

Author(s):

Wei Mao ◽

Bin Kong ◽

Xiaozhen Yang ◽

Erik Nies

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Catalyst Surface ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics Simulation

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A NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION ON THE CONDENSATION RATE OF ARGON

10.1615/tfec2018.fmp.024312 ◽

2018 ◽

Author(s):

T. B. Wang ◽

Y. S. Zhou ◽

Min Chen

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Condensation Rate ◽

Nonequilibrium Molecular Dynamics Simulation

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