scholarly journals Structural Disorder of the CD3ζ Transmembrane Domain Studied with 2D IR Spectroscopy and Molecular Dynamics Simulations

2006 ◽  
Vol 110 (48) ◽  
pp. 24740-24749 ◽  
Author(s):  
Prabuddha Mukherjee ◽  
Itamar Kass ◽  
Isaiah T. Arkin ◽  
Martin T. Zanni
Keyword(s):  
Molecular Dynamics ◽  
Ir Spectroscopy ◽  
Molecular Dynamics Simulations ◽  
Transmembrane Domain ◽  
Structural Disorder ◽  
2D Ir ◽  
Dynamics Simulations

scholarly journals Peptide-Protein Binding Investigated by Far-IR Spectroscopy and Molecular Dynamics Simulations

2017 ◽  
Vol 112 (12) ◽  
pp. 2575-2588 ◽  
Author(s):  
Yoann Cote ◽  
Yves Nominé ◽  
Juan Ramirez ◽  
Petra Hellwig ◽  
Roland H. Stote
Keyword(s):  
Molecular Dynamics ◽  
Ir Spectroscopy ◽  
Protein Binding ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

Gas-Phase Peptide Structures Unraveled by Far-IR Spectroscopy: Combining IR-UV Ion-Dip Experiments with Born-Oppenheimer Molecular Dynamics Simulations

2014 ◽  
Vol 126 (14) ◽  
pp. 3737-3740 ◽  
Author(s):  
Sander Jaeqx ◽  
Jos Oomens ◽  
Alvaro Cimas ◽  
Marie-Pierre Gaigeot ◽  
Anouk M. Rijs
Keyword(s):  
Molecular Dynamics ◽  
Ir Spectroscopy ◽  
Molecular Dynamics Simulations ◽  
Gas Phase ◽  
Dynamics Simulations

scholarly journals Synaptobrevin Transmembrane Domain Dimerization Studied by Multiscale Molecular Dynamics Simulations

2015 ◽  
Vol 109 (4) ◽  
pp. 760-771 ◽  
Author(s):  
Jing Han ◽  
Kristyna Pluhackova ◽  
Tsjerk A. Wassenaar ◽  
Rainer A. Böckmann
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Transmembrane Domain ◽  
Dynamics Simulations

scholarly journals 2D IR spectra of cyanide in water investigated by molecular dynamics simulations

2013 ◽  
Vol 139 (5) ◽  
pp. 054506 ◽  
Author(s):  
Myung Won Lee ◽  
Joshua K. Carr ◽  
Michael Göllner ◽  
Peter Hamm ◽  
Markus Meuwly
Keyword(s):  
Molecular Dynamics ◽  
Ir Spectra ◽  
Molecular Dynamics Simulations ◽  
2D Ir ◽  
Dynamics Simulations
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