Interaction between Wine Phenolic Acids and Salivary Proteins by Saturation-Transfer Difference Nuclear Magnetic Resonance Spectroscopy (STD-NMR) and Molecular Dynamics Simulations

Raúl Ferrer-Gallego; José Miguel Hernández-Hierro; Natércia F. Brás; Nuno Vale; Paula Gomes; Nuno Mateus; Victor de Freitas; Francisco J. Heredia; María Teresa Escribano-Bailón

doi:10.1021/acs.jafc.6b05414

Interaction between Wine Phenolic Acids and Salivary Proteins by Saturation-Transfer Difference Nuclear Magnetic Resonance Spectroscopy (STD-NMR) and Molecular Dynamics Simulations

Journal of Agricultural and Food Chemistry ◽

10.1021/acs.jafc.6b05414 ◽

2017 ◽

Vol 65 (31) ◽

pp. 6434-6441 ◽

Cited By ~ 8

Author(s):

Raúl Ferrer-Gallego ◽

José Miguel Hernández-Hierro ◽

Natércia F. Brás ◽

Nuno Vale ◽

Paula Gomes ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Salivary Proteins ◽

Resonance Spectroscopy ◽

Saturation Transfer ◽

Saturation Transfer Difference ◽

Std Nmr ◽

Dynamics Simulations

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Conformational Analysis of Heparin-Analogue Pentasaccharides by Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulations

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.1c00200 ◽

2021 ◽

Author(s):

Gábor Balogh ◽

Tamás Gyöngyösi ◽

István Timári ◽

Mihály Herczeg ◽

Anikó Borbás ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Conformational Analysis ◽

Molecular Dynamics Simulations ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

Dynamics Simulations ◽

Nuclear Magnetic

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Interaction of toluene with polar stationary phases under conditions typical of hydrophilic interaction chromatography probed by saturation transfer difference nuclear magnetic resonance spectroscopy

Journal of Chromatography A ◽

10.1016/j.chroma.2018.11.028 ◽

2019 ◽

Vol 1588 ◽

pp. 58-67 ◽

Cited By ~ 2

Author(s):

Adel Shamshir ◽

Ngoc Phuoc Dinh ◽

Tobias Jonsson ◽

Tobias Sparrman ◽

Muhammad Jamshaid Ashiq ◽

...

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Stationary Phases ◽

Hydrophilic Interaction Chromatography ◽

Resonance Spectroscopy ◽

Saturation Transfer ◽

Hydrophilic Interaction ◽

Saturation Transfer Difference

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Dynamic aspects of antibody:oligosaccharide complexes characterized by molecular dynamics simulations and saturation transfer difference nuclear magnetic resonance

Glycobiology ◽

10.1093/glycob/cwr059 ◽

2011 ◽

Vol 21 (12) ◽

pp. 1570-1579 ◽

Cited By ~ 13

Author(s):

François-Xavier Theillet ◽

Martin Frank ◽

Brigitte Vulliez-Le Normand ◽

Catherine Simenel ◽

Sylviane Hoos ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Molecular Dynamics Simulations ◽

Saturation Transfer ◽

Saturation Transfer Difference ◽

Dynamics Simulations ◽

Nuclear Magnetic

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Saturation Transfer Difference Nuclear Magnetic Resonance Spectroscopy As a Method for Screening Proteins for Anesthetic Binding

Molecular Pharmacology ◽

10.1124/mol.66.4.929 ◽

2004 ◽

Vol 66 (4) ◽

pp. 929-935 ◽

Cited By ~ 24

Author(s):

John H. Streiff ◽

Nenad O. Juranic ◽

Slobodan I. Macura ◽

David O. Warner ◽

Keith A. Jones ◽

...

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

Saturation Transfer ◽

Saturation Transfer Difference ◽

Nuclear Magnetic

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Probing the retention mechanism of small hydrophilic molecules in hydrophilic interaction chromatography using saturation transfer difference nuclear magnetic resonance spectroscopy

Journal of Chromatography A ◽

10.1016/j.chroma.2020.461130 ◽

2020 ◽

Vol 1623 ◽

pp. 461130 ◽

Cited By ~ 1

Author(s):

Adel Shamshir ◽

Ngoc Phuoc Dinh ◽

Tobias Jonsson ◽

Tobias Sparrman ◽

Knut Irgum

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Retention Mechanism ◽

Hydrophilic Interaction Chromatography ◽

Resonance Spectroscopy ◽

Saturation Transfer ◽

Hydrophilic Interaction ◽

Saturation Transfer Difference

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Information flow and protein dynamics: the interplay between nuclear magnetic resonance spectroscopy and molecular dynamics simulations

Frontiers in Plant Science ◽

10.3389/fpls.2015.00306 ◽

2015 ◽

Vol 6 ◽

Cited By ~ 7

Author(s):

Nina Pastor ◽

Carlos Amero

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Molecular Dynamics Simulations ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Protein Dynamics ◽

Information Flow ◽

Resonance Spectroscopy ◽

Dynamics Simulations

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Understanding solution-state noncovalent interactions between xenobiotics and natural organic matter using 19F/1H heteronuclear saturation transfer difference nuclear magnetic resonance spectroscopy

Environmental Toxicology and Chemistry ◽

10.1002/etc.560 ◽

2011 ◽

Vol 30 (8) ◽

pp. 1745-1753 ◽

Cited By ~ 17

Author(s):

James G. Longstaffe ◽

André J. Simpson

Keyword(s):

Nuclear Magnetic Resonance ◽

Organic Matter ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Natural Organic Matter ◽

Noncovalent Interactions ◽

Resonance Spectroscopy ◽

Saturation Transfer ◽

Saturation Transfer Difference

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Dynamics of the Human Y1-Receptor in the Inactive and APO States Investigated by Solid-State Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulations

Biophysical Journal ◽

10.1016/j.bpj.2019.11.2901 ◽

2020 ◽

Vol 118 (3) ◽

pp. 528a

Author(s):

Alexander Vogel ◽

Hossein Batebi ◽

Johanna K. Tiemann ◽

Marcel Gauglitz ◽

Mathias Bosse ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Solid State ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Molecular Dynamics Simulations ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

Y1 Receptor ◽

Dynamics Simulations

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Solution Conformations of Potent Bicyclic Antagonists of Oxytocin by Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulations

Journal of the American Chemical Society ◽

10.1021/ja963736y ◽

1997 ◽

Vol 119 (25) ◽

pp. 5833-5846 ◽

Cited By ~ 13

Author(s):

Mark D. Shenderovich ◽

Katalin E. Kövér ◽

Susanne Wilke ◽

Nathan Collins ◽

Victor J. Hruby

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Molecular Dynamics Simulations ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

Solution Conformations ◽

Dynamics Simulations ◽

Nuclear Magnetic

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Thermal and Nonthermal Microwave Effects of Ethanol and Hexane-Mixed Solution as Revealed by In Situ Microwave Irradiation Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c06383 ◽

2020 ◽

Vol 124 (43) ◽

pp. 9615-9624

Author(s):

Yugo Tasei ◽

Batsaikhan Mijiddorj ◽

Teruaki Fujito ◽

Izuru Kawamura ◽

Kazuyoshi Ueda ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Microwave Irradiation ◽

Dynamics Simulation ◽

Resonance Spectroscopy ◽

Mixed Solution

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