Molecular Dynamics Simulations of Normal Mode Vibrational Energy Transfer in Liquid Nitromethane

Vinayak N. Kabadi; Betsy M. Rice

doi:10.1021/jp035975v

Molecular Dynamics Simulations of Normal Mode Vibrational Energy Transfer in Liquid Nitromethane

The Journal of Physical Chemistry A ◽

10.1021/jp035975v ◽

2004 ◽

Vol 108 (4) ◽

pp. 532-540 ◽

Cited By ~ 26

Author(s):

Vinayak N. Kabadi ◽

Betsy M. Rice

Keyword(s):

Molecular Dynamics ◽

Energy Transfer ◽

Molecular Dynamics Simulations ◽

Normal Mode ◽

Vibrational Energy ◽

Vibrational Energy Transfer ◽

Dynamics Simulations

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Calculating Vibrational Energy Relaxation Rates from Classical Molecular Dynamics Simulations: Quantum Correction Factors for Processes Involving Vibration−Vibration Energy Transfer†

The Journal of Physical Chemistry B ◽

10.1021/jp010602k ◽

2001 ◽

Vol 105 (28) ◽

pp. 6716-6721 ◽

Cited By ~ 61

Author(s):

J. L. Skinner ◽

Kisam Park

Keyword(s):

Molecular Dynamics ◽

Energy Transfer ◽

Molecular Dynamics Simulations ◽

Quantum Correction ◽

Vibrational Energy ◽

Vibration Energy ◽

Correction Factors ◽

Relaxation Rates ◽

Vibrational Energy Relaxation ◽

Dynamics Simulations

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Accurate Prediction of Forster Resonance Energy Transfer during Co-translational Folding with Coarse-Grained Molecular Dynamics Simulations

Biophysical Journal ◽

10.1016/j.bpj.2017.11.311 ◽

2018 ◽

Vol 114 (3) ◽

pp. 47a

Author(s):

Daniel A. Nissley ◽

Edward P. O'Brien

Keyword(s):

Molecular Dynamics ◽

Energy Transfer ◽

Molecular Dynamics Simulations ◽

Resonance Energy Transfer ◽

Resonance Energy ◽

Accurate Prediction ◽

Coarse Grained ◽

Förster Resonance Energy Transfer ◽

Dynamics Simulations ◽

Coarse Grained Molecular Dynamics

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Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis

Future Medicinal Chemistry ◽

10.4155/fmc.15.150 ◽

2015 ◽

Vol 7 (17) ◽

pp. 2317-2331 ◽

Cited By ~ 12

Author(s):

Gautier Moroy ◽

Olivier Sperandio ◽

Shakti Rielland ◽

Saurabh Khemka ◽

Karen Druart ◽

...

Keyword(s):

Molecular Dynamics ◽

Virtual Screening ◽

Molecular Dynamics Simulations ◽

Normal Mode ◽

Normal Mode Analysis ◽

Mode Analysis ◽

Conformational Ensemble ◽

Dynamics Simulations

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Decoding the structural events in substrate-gating mechanism of eukaryotic prolyl oligopeptidase using normal mode analysis and molecular dynamics simulations

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.24511 ◽

2014 ◽

Vol 82 (7) ◽

pp. 1428-1443 ◽

Cited By ~ 13

Author(s):

Swati Kaushik ◽

Catherine Etchebest ◽

Ramanathan Sowdhamini

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Normal Mode ◽

Normal Mode Analysis ◽

Mode Analysis ◽

Prolyl Oligopeptidase ◽

Gating Mechanism ◽

Dynamics Simulations

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Molecular Dynamics Simulations and Instantaneous Normal-Mode Analysis of the Vibrational Relaxation of the C−H Stretching Modes ofN-methylacetamide-din Liquid Deuterated Water

The Journal of Physical Chemistry A ◽

10.1021/jp106998h ◽

2010 ◽

Vol 114 (43) ◽

pp. 11450-11461 ◽

Cited By ~ 14

Author(s):

Adolfo Bastida ◽

Miguel A. Soler ◽

José Zúñiga ◽

Alberto Requena ◽

Adrián Kalstein ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Normal Mode ◽

Vibrational Relaxation ◽

Normal Mode Analysis ◽

Mode Analysis ◽

Deuterated Water ◽

Instantaneous Normal Mode ◽

Dynamics Simulations

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Molecular Dynamics Simulations of Vibrational Energy Distribution in Vibrational Cooling and Heating

The Journal of Physical Chemistry ◽

10.1021/jp952916b ◽

1996 ◽

Vol 100 (22) ◽

pp. 9495-9499 ◽

Cited By ~ 2

Author(s):

Hackjin Kim ◽

Youngdo Won

Keyword(s):

Molecular Dynamics ◽

Energy Distribution ◽

Molecular Dynamics Simulations ◽

Vibrational Energy ◽

Vibrational Cooling ◽

Dynamics Simulations ◽

Vibrational Energy Distribution

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Nonequilibrium molecular dynamics simulations of vibrational energy relaxation of HOD in D2O

The Journal of Chemical Physics ◽

10.1063/1.3126781 ◽

2009 ◽

Vol 130 (17) ◽

pp. 174507 ◽

Cited By ~ 27

Author(s):

Alexander Kandratsenka ◽

Jörg Schroeder ◽

Dirk Schwarzer ◽

Vyacheslav S. Vikhrenko

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Vibrational Energy ◽

Energy Relaxation ◽

Nonequilibrium Molecular Dynamics ◽

Vibrational Energy Relaxation ◽

Dynamics Simulations

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The Gating Mechanism of a P2X4 Receptor: Normal Mode Analysis and Molecular Dynamics Simulations

Biophysical Journal ◽

10.1016/j.bpj.2011.11.1850 ◽

2012 ◽

Vol 102 (3) ◽

pp. 337a-338a

Author(s):

Juan Du ◽

Hao Dong ◽

Huan Xiang Zhou

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Normal Mode ◽

Normal Mode Analysis ◽

Mode Analysis ◽

P2x4 Receptor ◽

Gating Mechanism ◽

Dynamics Simulations

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Large-scale comparison of protein essential dynamics from molecular dynamics simulations and coarse-grained normal mode analyses

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.22841 ◽

2010 ◽

Vol 78 (16) ◽

pp. 3341-3352 ◽

Cited By ~ 37

Author(s):

Aqeel Ahmed ◽

Saskia Villinger ◽

Holger Gohlke

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Normal Mode ◽

Large Scale ◽

Coarse Grained ◽

Essential Dynamics ◽

Dynamics Simulations

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Gating mechanism of a P2X4 receptor developed from normal mode analysis and molecular dynamics simulations

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.1119546109 ◽

2012 ◽

Vol 109 (11) ◽

pp. 4140-4145 ◽

Cited By ~ 39

Author(s):

J. Du ◽

H. Dong ◽

H.-X. Zhou

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Normal Mode ◽

Normal Mode Analysis ◽

Mode Analysis ◽

P2x4 Receptor ◽

Gating Mechanism ◽

Dynamics Simulations

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