A Molecular Dynamics Simulation-Based Interpretation of Nuclear Magnetic Resonance Multidimensional Heteronuclear Spectra of α-Synuclein·Dopamine Adducts

Domenica Dibenedetto; Giulia Rossetti; Rocco Caliandro; Paolo Carloni

doi:10.1021/bi400367r

A Molecular Dynamics Simulation-Based Interpretation of Nuclear Magnetic Resonance Multidimensional Heteronuclear Spectra of α-Synuclein·Dopamine Adducts

Biochemistry ◽

10.1021/bi400367r ◽

2013 ◽

Vol 52 (38) ◽

pp. 6672-6683 ◽

Cited By ~ 25

Author(s):

Domenica Dibenedetto ◽

Giulia Rossetti ◽

Rocco Caliandro ◽

Paolo Carloni

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Magnetic Resonance ◽

Dynamics Simulation ◽

Simulation Based ◽

Nuclear Magnetic

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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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Protein Unfolding Transitions in an Intrinsically Unstable Annexin Domain: Molecular Dynamics Simulation and Comparison with Nuclear Magnetic Resonance Data

Biophysical Journal ◽

10.1016/s0006-3495(02)75200-4 ◽

2002 ◽

Vol 83 (2) ◽

pp. 681-698 ◽

Cited By ~ 6

Author(s):

Tru Huynh ◽

Jeremy C. Smith ◽

Alain Sanson

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Magnetic Resonance ◽

Protein Unfolding ◽

Nuclear Magnetic Resonance Data ◽

Dynamics Simulation ◽

Magnetic Resonance Data ◽

Resonance Data ◽

Nuclear Magnetic

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[5] Structure determination and analysis of local bending in an A-tract DNA duplex: Comparison of results from crystallography, nuclear magnetic resonance, and molecular dynamics simulation on d(CGCAAAAATGCG)

Methods in Enzymology - Nuclear Magnetic Resonance and Nucleic Acids ◽

10.1016/s0076-6879(95)61007-3 ◽

1995 ◽

pp. 121-144 ◽

Cited By ~ 15

Author(s):

Matthew A. Young ◽

Jayasharee Srinivasan ◽

Igor Goljer ◽

Surat Kumar ◽

David L. Beveridge ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Magnetic Resonance ◽

Structure Determination ◽

Dynamics Simulation ◽

Dna Duplex ◽

Comparison Of Results ◽

Nuclear Magnetic

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Nuclear magnetic resonance and molecular dynamics simulation study on the reorientational relaxation of solutes in supercritical methanol

Journal of Molecular Liquids ◽

10.1016/j.molliq.2004.10.018 ◽

2005 ◽

Vol 119 (1-3) ◽

pp. 119-123 ◽

Cited By ~ 11

Author(s):

Tsuyoshi Yamaguchi ◽

Nobuyuki Matubayasi ◽

Masaru Nakahara

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Magnetic Resonance ◽

Simulation Study ◽

Dynamics Simulation ◽

Supercritical Methanol ◽

Nuclear Magnetic

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Rotational Motion in Liquid Water Is Anisotropic: A Nuclear Magnetic Resonance and Molecular Dynamics Simulation Study

Journal of the American Chemical Society ◽

10.1021/ja010312h ◽

2001 ◽

Vol 123 (33) ◽

pp. 8047-8052 ◽

Cited By ~ 81

Author(s):

J. Ropp ◽

C. Lawrence ◽

T. C. Farrar ◽

J. L. Skinner

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Magnetic Resonance ◽

Simulation Study ◽

Liquid Water ◽

Rotational Motion ◽

Dynamics Simulation ◽

Nuclear Magnetic

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Segmental dynamics in a blend of alkanes: Nuclear magnetic resonance experiments and molecular dynamics simulation

The Journal of Chemical Physics ◽

10.1063/1.1464538 ◽

2002 ◽

Vol 116 (18) ◽

pp. 8209-8217 ◽

Cited By ~ 13

Author(s):

Joanne Budzien ◽

Colleen Raphael ◽

Mark D. Ediger ◽

Juan J. de Pablo

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Magnetic Resonance ◽

Dynamics Simulation ◽

Segmental Dynamics ◽

Nuclear Magnetic

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Structure of Strontium Aluminosilicate Glasses from Molecular Dynamics Simulation, Neutron Diffraction, and Nuclear Magnetic Resonance Studies

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.8b05721 ◽

2018 ◽

Vol 122 (41) ◽

pp. 9567-9583 ◽

Cited By ~ 7

Author(s):

Thibault Charpentier ◽

Kirill Okhotnikov ◽

Alexey N. Novikov ◽

Louis Hennet ◽

Henry E. Fischer ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Magnetic Resonance ◽

Neutron Diffraction ◽

Dynamics Simulation ◽

Magnetic Resonance Studies ◽

Aluminosilicate Glasses ◽

Nuclear Magnetic

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Molecular Dynamics Simulation and Nuclear Magnetic Resonance Studies of the Terminal Glucotriose Unit Found in the Oligosaccharide of Glycoprotein Precursors

Archives of Biochemistry and Biophysics ◽

10.1006/abbi.2000.1752 ◽

2000 ◽

Vol 377 (1) ◽

pp. 163-170 ◽

Cited By ~ 12

Author(s):

Christer Höög ◽

Göran Widmalm

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Magnetic Resonance ◽

Dynamics Simulation ◽

Magnetic Resonance Studies ◽

Nuclear Magnetic

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Self-Radiation Damage and SiO4 Polymerization in Crystals of Zircon From Nuclear Magnetic Resonance and Molecular Dynamics Simulation Data

Mineralogical Journal ◽

10.15407/mineraljournal.39.04.058 ◽

2017 ◽

Vol 39 (4) ◽

pp. 58-66

Author(s):

A. GRECHANOVSKY ◽

A. BRIK ◽

N. EREMIN ◽

V. RADCHUK ◽

A. KALINICHENKO ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Magnetic Resonance ◽

Radiation Damage ◽

Dynamics Simulation ◽

Simulation Data ◽

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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