Fractional protein dynamics seen by nuclear magnetic resonance spectroscopy: Relating molecular dynamics simulation and experiment

The Journal of Chemical Physics ◽

10.1063/1.3486195 ◽

2010 ◽

Vol 133 (14) ◽

pp. 145101 ◽

Author(s):

Vania Calandrini ◽

Daniel Abergel ◽

Gerald R. Kneller

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Protein Dynamics ◽

Dynamics Simulation ◽

Resonance Spectroscopy ◽

Simulation And Experiment

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Structure of lead oxyfluorosilicate glasses: X-ray photoelectron and nuclear magnetic resonance spectroscopy and molecular dynamics simulation

Journal of Non-Crystalline Solids ◽

10.1016/s0022-3093(00)00233-7 ◽

2000 ◽

Vol 272 (2-3) ◽

pp. 103-118 ◽

Author(s):

Satoshi Hayakawa ◽

Akiyoshi Osaka ◽

Hironori Nishioka ◽

Syuji Matsumoto ◽

Yoshinari Miura

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Dynamics Simulation ◽

Resonance Spectroscopy ◽

X Ray ◽

Nuclear Magnetic

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Solution-State Structure and Affinities of Cyclodextrin:Fentanyl Complexes by Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.5b12333 ◽

2016 ◽

Vol 120 (9) ◽

pp. 2423-2433 ◽

Author(s):

Brian P. Mayer ◽

Daniel J. Kennedy ◽

Edmond Y. Lau ◽

Carlos A. Valdez

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Dynamics Simulation ◽

Resonance Spectroscopy ◽

State Structure ◽

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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 ◽

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Deconvoluting Protein (Un)folding Structural Ensembles Using X-Ray Scattering, Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulation

PLoS ONE ◽

10.1371/journal.pone.0125662 ◽

2015 ◽

Vol 10 (5) ◽

pp. e0125662 ◽

Author(s):

Alexandr Nasedkin ◽

Moreno Marcellini ◽

Tomasz L. Religa ◽

Stefan M. Freund ◽

Andreas Menzel ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Dynamics Simulation ◽

Resonance Spectroscopy ◽

X Ray ◽

X Ray Scattering ◽

Structural Ensembles

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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 ◽

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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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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Molecular dynamics, phase diagrams and electronic properties of fullerenes and alkali fullerides: insights from solid-state nuclear magnetic resonance spectroscopy

Solid State Nuclear Magnetic Resonance ◽

10.1016/0926-2040(94)90014-0 ◽

1994 ◽

Vol 3 (6) ◽

pp. 303-314 ◽

Author(s):

Robert Tycko

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Solid State ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Electronic Properties ◽

Phase Diagrams ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

Alkali Fullerides

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Molecular dynamics in solid bis(η-arene)molybdenum complexes studied by solid-state deuterium nuclear magnetic resonance spectroscopy

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9960002989 ◽

1996 ◽

pp. 2989-2993 ◽

Author(s):

Dermot O'Hare ◽

Stephen J. Heyes ◽

Stephen Barlow ◽

Susan Mason

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Solid State ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

Molybdenum Complexes ◽

Nuclear Magnetic

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Combined nuclear magnetic resonance spectroscopy and molecular dynamics study of growth hormone releasing hexapeptide GHRP-6 and a cyclic analogue

Magnetic Resonance in Chemistry ◽

10.1002/mrc.3805 ◽

2012 ◽

Vol 50 (5) ◽

pp. 364-371 ◽

Author(s):

Miguel Fernández-Oliva ◽

Héctor Santana ◽

Reynier Suardíaz ◽

José A. Gavín ◽

Carlos S. Pérez

Keyword(s):

Molecular Dynamics ◽

Growth Hormone ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

Nuclear Magnetic

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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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