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

Molecular Conformations ◽

Hydrogen Bonds in GlcNAc( β1,3)Gal( β)OMe in DMSO Studied by NMR Spectroscopy and Molecular Dynamics Simulations

Bulletin of the Korean Chemical Society ◽

10.5012/bkcs.2004.25.2.198 ◽

2004 ◽

Vol 25 (2) ◽

pp. 198-202 ◽

Cited By ~ 2

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Hydrogen Bonds ◽

Antihypertensive Drug Valsartan in Solution and at the AT1 Receptor: Conformational Analysis, Dynamic NMR Spectroscopy, in Silico Docking, and Molecular Dynamics Simulations

Journal of Chemical Information and Modeling ◽

10.1021/ci800427s ◽

2009 ◽

Vol 49 (3) ◽

pp. 726-739 ◽

Cited By ~ 34

Author(s):

Constantinos Potamitis ◽

Maria Zervou ◽

Vassilis Katsiaras ◽

Panagiotis Zoumpoulakis ◽

Serdar Durdagi ◽

...

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Antihypertensive Drug ◽

In Silico ◽

At1 Receptor ◽

Dynamic Nmr ◽

In Silico Docking ◽

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

Structural Chemistry ◽

10.1007/s11224-014-0424-4 ◽

2014 ◽

Vol 25 (5) ◽

pp. 1443-1455 ◽

Cited By ~ 11

Author(s):

Pabla A. Barra ◽

Luis F. Barraza ◽

Verónica A. Jiménez ◽

José A. Gavin ◽

Joel B. Alderete

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Dynamics Simulations ◽

Supramolecular Complexation

Cisplatin Adducts on a GGG Sequence within a DNA Duplex Studied by NMR Spectroscopy and Molecular Dynamics Simulations

Chemistry - A European Journal ◽

10.1002/chem.200901158 ◽

2009 ◽

Vol 15 (45) ◽

pp. 12320-12337 ◽

Cited By ~ 15

Author(s):

Stéphane Téletchéa ◽

Tormod Skauge ◽

Einar Sletten ◽

Jiří Kozelka

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Dna Duplex ◽

Investigation of Hydrophobic Interactions in Colloidal and Biological Systems by Molecular Dynamics Simulations and NMR Spectroscopy

Langmuir ◽

10.1021/la961070f ◽

1997 ◽

Vol 13 (7) ◽

pp. 2007-2018 ◽

Cited By ~ 17

Author(s):

M. H. Alaimo ◽

T. F. Kumosinski

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Hydrophobic Interactions ◽

Biological Systems ◽

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

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1996)59:4<291::aid-qua4>3.0.co;2-t ◽

1996 ◽

Vol 59 (4) ◽

pp. 291-300 ◽

Cited By ~ 2

Author(s):

David Fushman ◽

R�diger Weisemann ◽

Harald Th�ring ◽

Oliver Ohlenschl�ger ◽

Heinz R�terjans

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Heteronuclear Nmr ◽

Backbone Dynamics ◽

Two Dimensional ◽

Heteronuclear Nmr Spectroscopy ◽

Molecular Conformations and the Liquid Structure in Bis(methylthio)methane and Diethyl Sulfide: Diffraction Experiments vs Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp3040117 ◽

2012 ◽

Vol 116 (30) ◽

pp. 9114-9121 ◽

Cited By ~ 6

Author(s):

Orsolya Gereben ◽

László Pusztai

Keyword(s):

Molecular Dynamics ◽

Liquid Structure ◽

Diethyl Sulfide ◽

Molecular Conformations ◽

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 ◽

10.1002/cbic.202000517 ◽

2020 ◽

Author(s):

Bryan T. Martin ◽

Robert D. Malmstrom ◽

Rommie E. Amaro ◽

Kurt Wüthrich

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Splicing Factors ◽

H Nmr ◽

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

Analytical Chemistry ◽

10.1021/ac050525f ◽

2005 ◽

Vol 77 (16) ◽

pp. 5196-5204 ◽

Cited By ~ 52

Author(s):

Alexandra Molinelli ◽

John O'Mahony ◽

Kieran Nolan ◽

Malcolm R. Smyth ◽

Michael Jakusch ◽

...

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Ir And Nmr Spectroscopy ◽

Studies on the structures and interactions of glutathione in aqueous solution by molecular dynamics simulations and NMR spectroscopy

Journal of Molecular Liquids ◽

10.1016/j.molliq.2011.05.010 ◽

2011 ◽

Vol 162 (1) ◽

pp. 20-25 ◽

Cited By ~ 9

Author(s):

Rong Zhang ◽

Wenjuan Wu

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Nmr Spectroscopy ◽