Backbone dynamics of proteins studied by two-dimensional heteronuclear NMR spectroscopy and molecular dynamics simulations

1996 ◽  
Vol 59 (4) ◽  
pp. 291-300 ◽  
Author(s):  
David Fushman ◽  
R�diger Weisemann ◽  
Harald Th�ring ◽  
Oliver Ohlenschl�ger ◽  
Heinz R�terjans
Keyword(s):  
Molecular Dynamics ◽  
Nmr Spectroscopy ◽  
Molecular Dynamics Simulations ◽  
Heteronuclear Nmr ◽  
Backbone Dynamics ◽  
Two Dimensional ◽  
Heteronuclear Nmr Spectroscopy ◽  
Dynamics Simulations

Substrate induced freezing, melting and depinning transitions in two-dimensional liquid crystalline systems

2022 ◽  
Author(s):  
Bharti bharti ◽  
Debabrata Deb
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystals ◽  
Molecular Dynamics Simulations ◽  
Liquid Crystalline ◽  
Two Dimensional ◽  
One Dimensional ◽  
The One ◽  
Dynamics Simulations

We use molecular dynamics simulations to investigate the ordering phenomena in two-dimensional (2D) liquid crystals over the one-dimensional periodic substrate (1DPS). We have used Gay-Berne (GB) potential to model the...

Molecular Conformations in the Pentasaccharide LNF-1 Derived from NMR Spectroscopy and Molecular Dynamics Simulations

2011 ◽  
Vol 115 (21) ◽  
pp. 7109-7121 ◽  
Author(s):  
Elin Säwén ◽  
Baltzar Stevensson ◽  
Jennie Östervall ◽  
Arnold Maliniak ◽  
Göran Widmalm
Keyword(s):  
Molecular Dynamics ◽  
Nmr Spectroscopy ◽  
Molecular Dynamics Simulations ◽  
Molecular Conformations ◽  
Dynamics Simulations

Drug-dendrimer supramolecular complexation studied from molecular dynamics simulations and NMR spectroscopy

2014 ◽  
Vol 25 (5) ◽  
pp. 1443-1455 ◽  
Author(s):  
Pabla A. Barra ◽  
Luis F. Barraza ◽  
Verónica A. Jiménez ◽  
José A. Gavin ◽  
Joel B. Alderete
Keyword(s):  
Molecular Dynamics ◽  
Nmr Spectroscopy ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations ◽  
Supramolecular Complexation
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