Electron Paramagnetic Resonance Measurements of Four Nitroxide Probes in Supercooled Water Explained by Molecular Dynamics Simulations

Patrick J. McMillin; Matthew Alegrete; Miroslav Peric; Tyler Luchko

doi:10.1021/acs.jpcb.0c00684

Electron Paramagnetic Resonance Measurements of Four Nitroxide Probes in Supercooled Water Explained by Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c00684 ◽

2020 ◽

Vol 124 (19) ◽

pp. 3962-3972

Author(s):

Patrick J. McMillin ◽

Matthew Alegrete ◽

Miroslav Peric ◽

Tyler Luchko

Keyword(s):

Molecular Dynamics ◽

Electron Paramagnetic Resonance ◽

Molecular Dynamics Simulations ◽

Supercooled Water ◽

Paramagnetic Resonance ◽

Dynamics Simulations ◽

Electron Paramagnetic

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Characterizing the conformational dynamics of metal-free PsaA using molecular dynamics simulations and electron paramagnetic resonance spectroscopy

Biophysical Chemistry ◽

10.1016/j.bpc.2015.08.004 ◽

2015 ◽

Vol 207 ◽

pp. 51-60 ◽

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Stephanie L. Begg ◽

Jessica H. van Wonderen ◽

Rebecca Campbell ◽

Bostjan Kobe ◽

...

Keyword(s):

Molecular Dynamics ◽

Electron Paramagnetic Resonance ◽

Molecular Dynamics Simulations ◽

Electron Paramagnetic Resonance Spectroscopy ◽

Conformational Dynamics ◽

Resonance Spectroscopy ◽

Paramagnetic Resonance ◽

Metal Free ◽

Dynamics Simulations ◽

Electron Paramagnetic

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The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.6b03193 ◽

2016 ◽

Vol 120 (23) ◽

pp. 5125-5133 ◽

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Author(s):

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Eugeniy A. Sviridov ◽

Andrey V. Shernuykov ◽

Georgiy Yu. Shevelev ◽

Dmitrii V. Pyshnyi ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Electron Paramagnetic Resonance ◽

Magnetic Resonance ◽

Molecular Dynamics Simulations ◽

Spin Labels ◽

Distance Measurements ◽

Paramagnetic Resonance ◽

Dynamics Simulations ◽

Electron Paramagnetic

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Simulation of Nitroxide Electron Paramagnetic Resonance Spectra from Brownian Trajectories and Molecular Dynamics Simulations

Biophysical Journal ◽

10.1529/biophysj.107.125419 ◽

2008 ◽

Vol 94 (10) ◽

pp. 3798-3809 ◽

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Author(s):

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David P. Rangel ◽

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Terry P. Lybrand ◽

Eric J. Hustedt

Keyword(s):

Molecular Dynamics ◽

Electron Paramagnetic Resonance ◽

Molecular Dynamics Simulations ◽

Paramagnetic Resonance ◽

Dynamics Simulations ◽

Electron Paramagnetic

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10.1007/bf03166254 ◽

2007 ◽

Vol 31 (1-2) ◽

pp. 167-178 ◽

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T. Shkuropatova ◽

P. Gast ◽

...

Keyword(s):

Molecular Dynamics ◽

Electron Paramagnetic Resonance ◽

Molecular Dynamics Simulations ◽

Electron Paramagnetic Resonance Spectroscopy ◽

Reaction Centers ◽

Resonance Spectroscopy ◽

Photosynthetic Reaction Centers ◽

Paramagnetic Resonance ◽

Dynamics Simulations ◽

Electron Paramagnetic

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2006 ◽

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Stefano Ceola ◽

Prasad Gajula ◽

Peter Gast ◽

Heinz-Jürgen Steinhoff ◽

...

Keyword(s):

Molecular Dynamics ◽

Electron Paramagnetic Resonance ◽

Rhodobacter Sphaeroides ◽

Resonance Method ◽

Reaction Centre ◽

Paramagnetic Resonance ◽

Electron Paramagnetic Resonance Method ◽

Dynamics Simulations ◽

Pulsed Electron Paramagnetic Resonance ◽

Electron Paramagnetic

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Correlation of Static and Dynamic Heterogeneities in Supercooled Water by Means of Molecular Dynamics Simulations

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.2009.6065 ◽

2009 ◽

Vol 223 (9) ◽

pp. 1001-1010 ◽

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Author(s):

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Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Supercooled Water ◽

Dynamics Simulations

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Physical Review E ◽

10.1103/physreve.88.042701 ◽

2013 ◽

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Keyword(s):

Molecular Dynamics ◽

Electron Paramagnetic Resonance ◽

Replica Exchange ◽

Paramagnetic Resonance ◽

Replica Exchange Molecular Dynamics ◽

Electron Paramagnetic

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Rotational dynamics of Di-tert-butyl-nitroxide in normal and supercooled water: an electron paramagnetic resonance study

Applied Magnetic Resonance ◽

10.1007/bf03162575 ◽

1994 ◽

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pp. 537-550 ◽

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Keyword(s):

Electron Paramagnetic Resonance ◽

Electron Paramagnetic Resonance Study ◽

Supercooled Water ◽

Rotational Dynamics ◽

Paramagnetic Resonance ◽

Tert Butyl ◽

Electron Paramagnetic

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10.1529/biophysj.105.080051 ◽

2006 ◽

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Keyword(s):

Electron Paramagnetic Resonance ◽

Stochastic Dynamics ◽

Simulation Approach ◽

Paramagnetic Resonance ◽

Dynamics Simulations ◽

Electron Paramagnetic

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Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Electron Paramagnetic Resonance ◽

Solid State ◽

Magnetic Resonance ◽

Variable Temperature ◽

Paramagnetic Resonance ◽

Scattering Study ◽

Electron Paramagnetic ◽

Resonance Electron

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