Molecular Dynamics Simulations of the Electrospray Process: Formation of NaCl Clusters via the Charged Residue Mechanism

Lars Konermann; Robert G. McAllister; Haidy Metwally

doi:10.1021/jp507635y

Molecular Dynamics Simulations of the Electrospray Process: Formation of NaCl Clusters via the Charged Residue Mechanism

The Journal of Physical Chemistry B ◽

10.1021/jp507635y ◽

2014 ◽

Vol 118 (41) ◽

pp. 12025-12033 ◽

Cited By ~ 28

Author(s):

Lars Konermann ◽

Robert G. McAllister ◽

Haidy Metwally

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Charged Residue ◽

Process Formation ◽

Electrospray Process ◽

Dynamics Simulations

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Mechanism of Protein Supercharging by Sulfolane and m-Nitrobenzyl Alcohol: Molecular Dynamics Simulations of the Electrospray Process

Analytical Chemistry ◽

10.1021/acs.analchem.6b00650 ◽

2016 ◽

Vol 88 (10) ◽

pp. 5345-5354 ◽

Cited By ~ 30

Author(s):

Haidy Metwally ◽

Robert G. McAllister ◽

Vlad Popa ◽

Lars Konermann

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nitrobenzyl Alcohol ◽

Electrospray Process ◽

Dynamics Simulations

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Release of Native-like Gaseous Proteins from Electrospray Droplets via the Charged Residue Mechanism: Insights from Molecular Dynamics Simulations

Journal of the American Chemical Society ◽

10.1021/jacs.5b07913 ◽

2015 ◽

Vol 137 (39) ◽

pp. 12667-12676 ◽

Cited By ~ 42

Author(s):

Robert G. McAllister ◽

Haidy Metwally ◽

Yu Sun ◽

Lars Konermann

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Charged Residue ◽

Dynamics Simulations ◽

Electrospray Droplets

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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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Molecular Dynamics Simulations of Retrograde Condensation in Nanoporous Shale

Proceedings of the 3rd Unconventional Resources Technology Conference ◽

10.15530/urtec-2015-2172738 ◽

2015 ◽

Cited By ~ 1

Author(s):

William R. Welch ◽

Mohammad Piri

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Retrograde Condensation ◽

Dynamics Simulations

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MOLECULAR DYNAMICS SIMULATIONS OF RAYLEIGH AND FIRST WIND-INDUCED BREAKUP

Atomization and Sprays ◽

10.1615/atomizspr.2011002906 ◽

2011 ◽

Vol 21 (4) ◽

pp. 275-281 ◽

Cited By ~ 4

Author(s):

Kurt F. Ludwig ◽

Michael Micci

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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MOLECULAR DYNAMICS SIMULATIONS OF ATOMIZATION AND SPRAY PHENOMENA

Atomization and Sprays ◽

10.1615/atomizspr.v11.i4.40 ◽

2001 ◽

Vol 11 (4) ◽

pp. 351-363 ◽

Cited By ~ 7

Author(s):

Teresa L. Kaltz ◽

Lyle N. Long

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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