Aqueous Guanidinium–Carbonate Interactions by Molecular Dynamics and Neutron Scattering: Relevance to Ion–Protein Interactions

Mario Vazdar; Pavel Jungwirth; Philip E. Mason

doi:10.1021/jp310719g

Aqueous Guanidinium–Carbonate Interactions by Molecular Dynamics and Neutron Scattering: Relevance to Ion–Protein Interactions

The Journal of Physical Chemistry B ◽

10.1021/jp310719g ◽

2013 ◽

Vol 117 (6) ◽

pp. 1844-1848 ◽

Cited By ~ 27

Author(s):

Mario Vazdar ◽

Pavel Jungwirth ◽

Philip E. Mason

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Protein Interactions ◽

Guanidinium Carbonate

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Molecular dynamics of cyclohexane guest molecules in the cyclohexane/thiourea inclusion compound: an incoherent quasielastic neutron scattering investigation

Molecular Physics ◽

10.1080/00268979809482241 ◽

1998 ◽

Vol 93 (4) ◽

pp. 545-554 ◽

Cited By ~ 10

Author(s):

MATTHEW JONES ◽

FRANCOIS GUILLAUME ◽

KENNETH HARRIS ◽

ABIL ALIEV ◽

PASCALE GIRARD ◽

...

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Inclusion Compound ◽

Guest Molecules ◽

Quasielastic Neutron ◽

Quasielastic Neutron Scattering

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Faculty Opinions recommendation of Role of cholesterol and polyunsaturated chains in lipid-protein interactions: molecular dynamics simulation of rhodopsin in a realistic membrane environment.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1025182.297783 ◽

2005 ◽

Author(s):

Tetsuji Okada

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Protein Interactions ◽

Dynamics Simulation ◽

Lipid Protein Interactions

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Molecular dynamics simulation combined with small‐angle X‐ray/neutron scattering defining solution‐state protein structures

Journal of the Chinese Chemical Society ◽

10.1002/jccs.202000498 ◽

2020 ◽

Author(s):

Shang‐Wei Lin ◽

Kuan‐Hsuan Su ◽

Yi‐Qi Yeh ◽

U‐Ser Jeng ◽

Chun‐Ming Wu ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Small Angle ◽

Protein Structures ◽

Dynamics Simulation ◽

X Ray ◽

Solution State

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Structure and Interactions in Perfluorooctanoate Micellar Solutions Revealed by Small-Angle Neutron Scattering and Molecular Dynamics Simulations Studies: Effect of Urea

Langmuir ◽

10.1021/acs.langmuir.1c00433 ◽

2021 ◽

Vol 37 (17) ◽

pp. 5339-5347

Author(s):

Samhitha Kancharla ◽

Dengpan Dong ◽

Dmitry Bedrov ◽

Marina Tsianou ◽

Paschalis Alexandridis

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Molecular Dynamics Simulations ◽

Small Angle ◽

Small Angle Neutron Scattering ◽

Micellar Solutions ◽

Dynamics Simulations

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Molecular-dynamics study of incoherent quasielastic neutron-scattering spectra of supercooled water

Physical Review E ◽

10.1103/physreve.56.4231 ◽

1997 ◽

Vol 56 (4) ◽

pp. 4231-4243 ◽

Cited By ~ 115

Author(s):

S.-H. Chen ◽

P. Gallo ◽

F. Sciortino ◽

P. Tartaglia

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Supercooled Water ◽

Quasielastic Neutron ◽

Scattering Spectra ◽

Quasielastic Neutron Scattering

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Diffusion of long chain n-alkanes in the metal–organic framework MIL-47(V): A combination of neutron scattering experiments and molecular dynamics simulations

Microporous and Mesoporous Materials ◽

10.1016/j.micromeso.2012.06.056 ◽

2012 ◽

Vol 164 ◽

pp. 259-265 ◽

Cited By ~ 24

Author(s):

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H. Jobic ◽

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C. Serre ◽

...

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Molecular Dynamics Simulations ◽

Metal Organic Framework ◽

Metal Organic ◽

Dynamics Simulations ◽

Long Chain ◽

Organic Framework

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Anharmonic lattice dynamics ofAg2Ostudied by inelastic neutron scattering and first-principles molecular dynamics simulations

Physical Review B ◽

10.1103/physrevb.89.054306 ◽

2014 ◽

Vol 89 (5) ◽

Cited By ~ 23

Author(s):

Tian Lan ◽

Chen W. Li ◽

J. L. Niedziela ◽

Hillary Smith ◽

Douglas L. Abernathy ◽

...

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Molecular Dynamics Simulations ◽

First Principles ◽

Lattice Dynamics ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

Anharmonic Lattice ◽

Dynamics Simulations ◽

First Principles Molecular Dynamics

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Polymer and Water Dynamics in Poly(vinyl alcohol)/Poly(methacrylate) Networks. A Molecular Dynamics Simulation and Incoherent Neutron Scattering Investigation

Polymers ◽

10.3390/polym3041805 ◽

2011 ◽

Vol 3 (4) ◽

pp. 1805-1832 ◽

Cited By ~ 11

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Ivana Finelli ◽

Francesca Natali ◽

Mark T. F. Telling ◽

Ester Chiessi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Vinyl Alcohol ◽

Water Dynamics ◽

Dynamics Simulation ◽

Poly Vinyl Alcohol ◽

Incoherent Neutron Scattering ◽

Incoherent Neutron

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10.1063/1.1764247 ◽

2004 ◽

Author(s):

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Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Molecular Dynamics Simulations ◽

Glass Forming ◽

Dynamics Simulations

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An overview of neutron scattering and molecular dynamics simulation studies of phospholipid bilayers in room-temperature ionic liquid/water solutions

Physica B Condensed Matter ◽

10.1016/j.physb.2018.02.043 ◽

2018 ◽

Vol 551 ◽

pp. 227-231 ◽

Cited By ~ 7

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Antonio Benedetto ◽

Pietro Ballone

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Liquid Water ◽

Room Temperature ◽

Phospholipid Bilayers ◽

Dynamics Simulation ◽

Simulation Studies ◽

Water Solutions

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