scholarly journals Properties and Structures of RE2O3–Al2O3–SiO2 (RE = Y, Lu) Glasses Probed by Molecular Dynamics Simulations and Solid-State NMR: The Roles of Aluminum and Rare-Earth Ions for Dictating the Microhardness

2012 ◽  
Vol 116 (34) ◽  
pp. 18394-18406 ◽  
Author(s):  
Shahriar Iftekhar ◽  
Bholanath Pahari ◽  
Kirill Okhotnikov ◽  
Aleksander Jaworski ◽  
Baltzar Stevensson ◽  
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Keyword(s):  
Molecular Dynamics ◽  
Rare Earth ◽  
Solid State ◽  
Molecular Dynamics Simulations ◽  
Solid State Nmr ◽  
Rare Earth Ions ◽  
Dynamics Simulations

Lipid Dynamics Studied by Calculation of 31P Solid-State NMR Spectra Using Ensembles from Molecular Dynamics Simulations

2014 ◽  
Vol 118 (19) ◽  
pp. 5119-5129 ◽  
Author(s):  
Sara K. Hansen ◽  
Mikkel Vestergaard ◽  
Lea Thøgersen ◽  
Birgit Schiøtt ◽  
Niels Chr. Nielsen ◽  
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Keyword(s):  
Molecular Dynamics ◽  
Solid State ◽  
Molecular Dynamics Simulations ◽  
Solid State Nmr ◽  
Nmr Spectra ◽  
Lipid Dynamics ◽  
Dynamics Simulations

scholarly journals Acylated Lactoferrin Peptides Using Solid State NMR and All-Atom Molecular Dynamics Simulations

2010 ◽  
Vol 98 (3) ◽  
pp. 92a
Author(s):  
Tod D. Romo ◽  
Alan Grossfield ◽  
Laura Bradney ◽  
Denise V. Greathouse
Keyword(s):  
Molecular Dynamics ◽  
Solid State ◽  
Molecular Dynamics Simulations ◽  
Solid State Nmr ◽  
Dynamics Simulations

Probing Silica–Biomolecule Interactions by Solid-State NMR and Molecular Dynamics Simulations

Langmuir ◽  
2016 ◽  
Vol 32 (44) ◽  
pp. 11698-11705 ◽  
Author(s):  
Stephan Ingmar Brückner ◽  
Sergii Donets ◽  
Arezoo Dianat ◽  
Manfred Bobeth ◽  
Rafael Gutiérrez ◽  
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Keyword(s):  
Molecular Dynamics ◽  
Solid State ◽  
Molecular Dynamics Simulations ◽  
Solid State Nmr ◽  
Dynamics Simulations

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2017 ◽  
Vol 8 (17) ◽  
pp. 4155-4160 ◽  
Author(s):  
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Matthias J. N. Junk ◽  
Michael D. McGehee ◽  
Bradley F. Chmelka ◽  
Michael Ryan Hansen ◽  
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Keyword(s):  
Molecular Dynamics ◽  
Solid State ◽  
Conjugated Polymers ◽  
Molecular Dynamics Simulations ◽  
Solid State Nmr ◽  
Dynamics Simulations
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