OCRE Domains of Splicing Factors RBM5 and RBM10: Tyrosine Ring‐Flip Frequencies Determined by Integrated Use of 1 H NMR Spectroscopy and Molecular Dynamics Simulations

ChemBioChem ◽  
2020 ◽  
Author(s):  
Bryan T. Martin ◽  
Robert D. Malmstrom ◽  
Rommie E. Amaro ◽  
Kurt Wüthrich
Keyword(s):  
Molecular Dynamics ◽  
Nmr Spectroscopy ◽  
Molecular Dynamics Simulations ◽  
Splicing Factors ◽  
H Nmr ◽  
Dynamics Simulations

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

Recognition of bio-relevant dicarboxylate anions by an azacalix[2]arene[2]triazine derivative decorated with urea moieties

2015 ◽  
Vol 13 (10) ◽  
pp. 3070-3085 ◽  
Author(s):  
Miguel M. Santos ◽  
Igor Marques ◽  
Sílvia Carvalho ◽  
Cristina Moiteiro ◽  
Vítor Félix
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Binding Affinity ◽  
H Nmr ◽  
Triazine Derivative ◽  
Wide Range ◽  
Dynamics Simulations ◽  
Nmr Titrations

The binding affinity of a dichlorocalix[2]arene[2]triazine based bis-urea azamacrocycle was investigated towards a wide range of bio-relevant dicarboxylate anions by a combination of 1H NMR titrations in CDCl3 and molecular dynamics simulations.

Analyzing the Mechanisms of Selectivity in Biomimetic Self-Assemblies via IR and NMR Spectroscopy of Prepolymerization Solutions and Molecular Dynamics Simulations

2005 ◽  
Vol 77 (16) ◽  
pp. 5196-5204 ◽  
Author(s):  
Alexandra Molinelli ◽  
John O'Mahony ◽  
Kieran Nolan ◽  
Malcolm R. Smyth ◽  
Michael Jakusch ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Nmr Spectroscopy ◽  
Molecular Dynamics Simulations ◽  
Ir And Nmr Spectroscopy ◽  
Dynamics Simulations
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