scholarly journals Structure of Poly(dialkylsiloxane) Melts:  Comparisons of Wide-Angle X-ray Scattering, Molecular Dynamics Simulations, and Integral Equation Theory

2007 ◽  
Vol 40 (19) ◽  
pp. 7036-7043 ◽  
Author(s):  
Anton Habenschuss ◽  
Mesfin Tsige ◽  
John G. Curro ◽  
Gary S. Grest ◽  
Shyamal K. Nath
Keyword(s):  
Molecular Dynamics ◽  
Integral Equation ◽  
Molecular Dynamics Simulations ◽  
Integral Equation Theory ◽  
Wide Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Dynamics Simulations ◽  
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

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...

Liquid Structure of 1-Propanol by Molecular Dynamics Simulations and X-Ray Scattering

2004 ◽  
Vol 33 (6/7) ◽  
pp. 797-809 ◽  
Author(s):  
Isao Akiyama ◽  
Masaya Ogawa ◽  
Keiichi Takase ◽  
Toshiyuki Takamuku ◽  
Toshio Yamaguchi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Liquid Structure ◽  
X Ray ◽  
X Ray Scattering ◽  
Dynamics Simulations ◽  
Ray Scattering

scholarly journals Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scattering

2014 ◽  
Vol 111 (50) ◽  
pp. 17887-17892 ◽  
Author(s):  
Michael E. Wall ◽  
Andrew H. Van Benschoten ◽  
Nicholas K. Sauter ◽  
Paul D. Adams ◽  
James S. Fraser ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Conformational Dynamics ◽  
X Ray ◽  
X Ray Scattering ◽  
Dynamics Simulations ◽  
Ray Scattering

Local Order in Aqueous NaCl Solutions and Pure Water:  X-ray Scattering and Molecular Dynamics Simulations Study

2006 ◽  
Vol 110 (46) ◽  
pp. 23515-23523 ◽  
Author(s):  
Salah Bouazizi ◽  
Salah Nasr ◽  
Nejmeddine Jaîdane ◽  
Marie-Claire Bellissent-Funel
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Pure Water ◽  
Local Order ◽  
X Ray ◽  
X Ray Scattering ◽  
Dynamics Simulations ◽  
Ray Scattering

How does growth hormone releasing hexapeptide self-assemble in nanotubes?

Soft Matter ◽  
2014 ◽  
Vol 10 (46) ◽  
pp. 9260-9269 ◽  
Author(s):  
Héctor Santana ◽  
Cesar L. Avila ◽  
Ingrid Cabrera ◽  
Rolando Páez ◽  
Viviana Falcón ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
Molecular Dynamics ◽  
Growth Hormone ◽  
Molecular Dynamics Simulations ◽  
Small Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Hollow Cylinders ◽  
Dynamics Simulations ◽  
Ray Scattering

Growth hormone releasing peptide-6 self-assembles into long hollow-cylinders, as evidenced by electron microscopy, small-angle X-ray scattering and molecular dynamics simulations.

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