Molecular dynamics simulation in the grand canonical ensemble

Hossein Eslami; Florian Müller-Plathe

doi:10.1002/jcc.20689

Molecular dynamics simulation in the grand canonical ensemble

Journal of Computational Chemistry ◽

10.1002/jcc.20689 ◽

2007 ◽

Vol 28 (10) ◽

pp. 1763-1773 ◽

Cited By ~ 44

Author(s):

Hossein Eslami ◽

Florian Müller-Plathe

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Dynamics Simulation ◽

Grand Canonical

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Water permeability of poly(ethylene terephthalate): A grand canonical ensemble molecular dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/1.3274805 ◽

2009 ◽

Vol 131 (23) ◽

pp. 234904 ◽

Cited By ~ 18

Author(s):

Hossein Eslami ◽

Florian Müller-Plathe

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Water Permeability ◽

Ethylene Terephthalate ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Dynamics Simulation ◽

Poly Ethylene Terephthalate ◽

Poly Ethylene ◽

Grand Canonical

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Grand canonical ensemble molecular dynamics simulation of water solubility in polyamide-6,6

Physical Chemistry Chemical Physics ◽

10.1039/c0cp00910e ◽

2011 ◽

Vol 13 (2) ◽

pp. 669-673 ◽

Cited By ~ 9

Author(s):

Hossein Eslami ◽

Nargess Mehdipour

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Water Solubility ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Dynamics Simulation ◽

Grand Canonical

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A new algorithm for molecular dynamics simulations in the grand canonical ensemble

Molecular Physics ◽

10.1080/00268979400100334 ◽

1994 ◽

Vol 82 (3) ◽

pp. 439-453 ◽

Cited By ~ 14

Author(s):

Lourdes F. Vega ◽

Katherine S. Shing ◽

Luis F. Rull

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Dynamics Simulations ◽

Grand Canonical

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Correlation of Temperature Dependence of Gas Permeability with Pore Size in Molecular Sieving Membranes: A Grand Canonical Ensemble Molecular Dynamics Study

The Journal of Physical Chemistry B ◽

10.1021/jp049068h ◽

2004 ◽

Vol 108 (37) ◽

pp. 14142-14147 ◽

Cited By ~ 10

Author(s):

Hiromitsu Takaba ◽

Eriya Matsuda ◽

Shin-ichi Nakao

Keyword(s):

Molecular Dynamics ◽

Temperature Dependence ◽

Pore Size ◽

Canonical Ensemble ◽

Gas Permeability ◽

Grand Canonical Ensemble ◽

Molecular Sieving ◽

Grand Canonical

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Spermine: an “invisible” component in the crystals of B-DNA. A grand canonical Monte Carlo and molecular dynamics simulation study

Journal of Molecular Biology ◽

10.1006/jmbi.2001.4642 ◽

2001 ◽

Vol 308 (5) ◽

pp. 907-917 ◽

Cited By ~ 60

Author(s):

Nikolay Korolev ◽

Alexander P Lyubartsev ◽

Lars Nordenskiöld ◽

Aatto Laaksonen

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Grand Canonical Monte Carlo ◽

Grand Canonical

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Grand canonical ensemble molecular dynamics simulations: Reformulation of extended system dynamics approaches

The Journal of Chemical Physics ◽

10.1063/1.475012 ◽

1997 ◽

Vol 107 (20) ◽

pp. 8594-8610 ◽

Cited By ~ 52

Author(s):

Gillian C. Lynch ◽

B. Montgomery Pettitt

Keyword(s):

Molecular Dynamics ◽

System Dynamics ◽

Molecular Dynamics Simulations ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Extended System ◽

Dynamics Simulations ◽

Grand Canonical

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1P585 Explicit Symplectic Molecular Dynamics Simulation for Rigid-Body Molecules in the Canonical Ensemble(27. Molecular dynamics simulation,Poster Session,Abstract,Meeting Program of EABS & BSJ 2006)

Seibutsu Butsuri ◽

10.2142/biophys.46.s293_1 ◽

2006 ◽

Vol 46 (supplement2) ◽

pp. S293

Author(s):

Hisashi Okumura ◽

Satoru G. Itoh ◽

Yuko Okamoto

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rigid Body ◽

Poster Session ◽

Canonical Ensemble ◽

Dynamics Simulation ◽

Meeting Program

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Molecular Dynamics Simulation Studies of Benzene, Toluene, and p-Xylene in a Canonical Ensemble

Bulletin of the Korean Chemical Society ◽

10.5012/bkcs.2002.23.3.441 ◽

2002 ◽

Vol 23 (3) ◽

pp. 441-446 ◽

Cited By ~ 18

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Canonical Ensemble ◽

Dynamics Simulation ◽

Simulation Studies ◽

Benzene Toluene

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Methane Aqueous Fluids in Montmorillonite Clay Interlayer under Near-Surface Geological Conditions: A Grand Canonical Monte Carlo and Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp507884w ◽

2014 ◽

Vol 118 (37) ◽

pp. 10956-10965 ◽

Cited By ~ 15

Author(s):

Qi Rao ◽

Yongsheng Leng

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Grand Canonical Monte Carlo ◽

Near Surface ◽

Geological Conditions ◽

Grand Canonical ◽

Clay Interlayer

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Semi-grand canonical molecular dynamics simulation of bovine pancreatic trypsin inhibitor

Chemical Physics ◽

10.1016/s0301-0104(00)00159-2 ◽

2000 ◽

Vol 258 (2-3) ◽

pp. 405-413 ◽

Cited By ~ 9

Author(s):

Gillian C. Lynch ◽

B.Montgomery Pettitt

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Trypsin Inhibitor ◽

Bovine Pancreatic Trypsin Inhibitor ◽

Dynamics Simulation ◽

Pancreatic Trypsin Inhibitor ◽

Grand Canonical

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