scholarly journals Probing the Core–Shell Organization of Nanoconfined Methane in Cylindrical Silica Pores Using In Situ Small-Angle Neutron Scattering and Molecular Dynamics Simulations

2020 ◽  
Vol 34 (12) ◽  
pp. 15246-15256 ◽  
Author(s):  
Sohaib Mohammed ◽  
Meishen Liu ◽  
Yun Liu ◽  
Greeshma Gadikota
Keyword(s):  
Molecular Dynamics ◽  
Neutron Scattering ◽  
Molecular Dynamics Simulations ◽  
Small Angle ◽  
Small Angle Neutron Scattering ◽  
Core Shell ◽  
The Core ◽  
Dynamics Simulations

Resolving the Organization of CO2 Molecules Confined in Silica Nanopores Using In-Situ Small-Angle Neutron Scattering and Molecular Dynamics Simulations

2021 ◽  
Author(s):  
Sohaib Mohammed ◽  
Meishen Liu ◽  
Greeshma Gadikota
Keyword(s):  
Molecular Dynamics ◽  
Neutron Scattering ◽  
Molecular Dynamics Simulations ◽  
Small Angle ◽  
Small Angle Neutron Scattering ◽  
Nanoporous Materials ◽  
Dynamics Simulations

Determining the organization of CO2 molecules confined in nanoporous environments is essential for unlocking our understanding of the fate of CO2 stored in nanoporous materials. In this study, we investigate...

Conformations and Structures of Poly(oxyethylene) Melts from Molecular Dynamics Simulations and Small-Angle Neutron Scattering Experiments

1996 ◽  
Vol 29 (10) ◽  
pp. 3462-3469 ◽  
Author(s):  
Grant D. Smith ◽  
Do Y. Yoon ◽  
Richard L. Jaffe ◽  
Ralph H. Colby ◽  
Ramanan Krishnamoorti ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Neutron Scattering ◽  
Molecular Dynamics Simulations ◽  
Small Angle ◽  
Small Angle Neutron Scattering ◽  
Dynamics Simulations

scholarly journals pH-Induced reorientation of cytochrome c on silica nanoparticles

Soft Matter ◽  
2019 ◽  
Vol 15 (3) ◽  
pp. 350-354 ◽  
Author(s):  
Jens Meissner ◽  
Yao Wu ◽  
Jacques Jestin ◽  
William A. Shelton ◽  
Gerhard H. Findenegg ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Cytochrome C ◽  
Neutron Scattering ◽  
Molecular Dynamics Simulations ◽  
Silica Nanoparticles ◽  
Small Angle ◽  
Small Angle Neutron Scattering ◽  
Wide Ph Range ◽  
Ph Range ◽  
Dynamics Simulations

The orientation of ellipsoidal cytochrome c molecules at the surface of silica nanoparticles was studied in a wide pH range by combining small-angle neutron scattering, adsorption measurements, and molecular dynamics simulations.

scholarly journals Structure of RecX protein complex with the presynaptic RecA filament: Molecular dynamics simulations and small angle neutron scattering

FEBS Letters ◽  
2014 ◽  
Vol 588 (6) ◽  
pp. 948-955 ◽  
Author(s):  
Alexey V. Shvetsov ◽  
Dmitry V. Lebedev ◽  
Daria B. Chervyakova ◽  
Irina V. Bakhlanova ◽  
Igor A. Yung ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Neutron Scattering ◽  
Molecular Dynamics Simulations ◽  
Small Angle ◽  
Protein Complex ◽  
Small Angle Neutron Scattering ◽  
Dynamics Simulations

scholarly journals Combining molecular dynamics simulations with small-angle X-ray and neutron scattering data to study multi-domain proteins in solution

2020 ◽  
Vol 16 (4) ◽  
pp. e1007870 ◽  
Author(s):  
Andreas Haahr Larsen ◽  
Yong Wang ◽  
Sandro Bottaro ◽  
Sergei Grudinin ◽  
Lise Arleth ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Neutron Scattering ◽  
Molecular Dynamics Simulations ◽  
Small Angle ◽  
Scattering Data ◽  
X Ray ◽  
Dynamics Simulations
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