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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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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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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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 ◽

Cited By ~ 26

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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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 ◽

Cited By ~ 14

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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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 ◽

Cited By ~ 30

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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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 ◽

Cited By ~ 4

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 ◽

Cited By ~ 1

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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Binding mode of Pyridoclax to myeloid cell leukemia-1 (Mcl-1) revealed by nuclear magnetic resonance spectroscopy, docking and molecular dynamics approaches

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2019.1680434 ◽

2019 ◽

Vol 38 (14) ◽

pp. 4162-4178

Author(s):

A. Bourafai-Aziez ◽

M. Sebban ◽

M. Benabderrahmane ◽

B. Marekha ◽

C. Denis ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Myeloid Cell ◽

Binding Mode ◽

Resonance Spectroscopy ◽

Cell Leukemia ◽

Nuclear Magnetic

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Structural elucidation of 4′-epiadriamycin by nuclear magnetic resonance spectroscopy and comparison with adriamycin and daunomycin using quantum mechanical and restrained molecular dynamics approach

Archives of Biochemistry and Biophysics ◽

10.1016/j.abb.2008.02.039 ◽

2008 ◽

Vol 474 (1) ◽

pp. 48-64 ◽

Cited By ~ 9

Author(s):

Ritu Barthwal ◽

Prashansa Agrawal ◽

A.N. Tripathi ◽

Uma Sharma ◽

N.R. Jagannathan ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Structural Elucidation ◽

Quantum Mechanical ◽

Resonance Spectroscopy ◽

Restrained Molecular Dynamics ◽

Nuclear Magnetic

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