scholarly journals Cover Picture: Detailed Structural Analysis of a Self-Assembled Vesicular Amphiphilic NCN-Pincer Palladium Complex by Using Wide-Angle X-Ray Scattering and Molecular Dynamics Calculations (Chem. Eur. J. 6/2017)

2016 ◽  
Vol 23 (6) ◽  
pp. 1207-1207
Author(s):  
Go Hamasaka ◽  
Tsubasa Muto ◽  
Yoshimichi Andoh ◽  
Kazushi Fujimoto ◽  
Kenichi Kato ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Structural Analysis ◽  
Palladium Complex ◽  
Wide Angle ◽  
X Ray ◽  
Detailed Structural Analysis ◽  
X Ray Scattering ◽  
Molecular Dynamics Calculations ◽  
Self Assembled ◽  
Ray Scattering

scholarly journals Understanding nucleic acid structural changes by comparing wide-angle x-ray scattering (WAXS) experiments to molecular dynamics simulations

2016 ◽  
Vol 144 (20) ◽  
pp. 205102 ◽  
Author(s):  
Suzette A. Pabit ◽  
Andrea M. Katz ◽  
Igor S. Tolokh ◽  
Aleksander Drozdetski ◽  
Nathan Baker ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Nucleic Acid ◽  
Molecular Dynamics Simulations ◽  
Structural Changes ◽  
Wide Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Dynamics Simulations ◽  
Ray Scattering

Investigation of the Structure of Concentrated NaOH Aqueous Solutions by Combining Molecular Dynamics and Wide-Angle X-ray Scattering

2019 ◽  
Vol 123 (24) ◽  
pp. 5121-5130 ◽  
Author(s):  
Amaury Coste ◽  
Arnaud Poulesquen ◽  
Olivier Diat ◽  
Jean-François Dufrêche ◽  
Magali Duvail
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solutions ◽  
Wide Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

scholarly journals Wide-angle X-ray scattering and molecular dynamics simulations of supercooled protein hydration water

2021 ◽  
Author(s):  
Maddalena Bin ◽  
Rafat Yousif ◽  
Sharon Berkowicz ◽  
Sudipta Das ◽  
Daniel Schlesinger ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Low Temperature ◽  
Molecular Dynamics Simulations ◽  
Protein Hydration ◽  
Hydration Water ◽  
Wide Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Dynamics Simulations ◽  
Ray Scattering

Understanding the mechanism responsible for the protein low-temperature crossover observed at T≈220K can help us improve current cryopreservation technologies. This crossover is associated with changes in the dynamics of the...

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