Combined Use of Replica-Exchange Molecular Dynamics and Magic-Angle-Spinning Solid-State NMR Spectral Simulations for Determining the Structure and Orientation of Membrane-Bound Peptide

2011 ◽  
Vol 115 (29) ◽  
pp. 9327-9336 ◽  
Author(s):  
Keisuke Ikeda ◽  
Tomoshi Kameda ◽  
Erisa Harada ◽  
Hideo Akutsu ◽  
Toshimichi Fujiwara
Keyword(s):  
Molecular Dynamics ◽  
Solid State Nmr ◽  
Magic Angle Spinning ◽  
Replica Exchange ◽  
Magic Angle ◽  
Replica Exchange Molecular Dynamics ◽  
Combined Use ◽  
Membrane Bound ◽  
Spectral Simulations ◽  
Angle Spinning

Membrane-Bound Conformation of Peptaibols with Methyl-Deuterated α-Amino Isobutyric Acids by2H Magic Angle Spinning Solid-State NMR Spectroscopy

2007 ◽  
Vol 129 (47) ◽  
pp. 14717-14723 ◽  
Author(s):  
Kresten Bertelsen ◽  
Jan M. Pedersen ◽  
Brian S. Rasmussen ◽  
Troels Skrydstrup ◽  
Niels Chr. Nielsen ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Solid State Nmr ◽  
Magic Angle Spinning ◽  
Magic Angle ◽  
Solid State Nmr Spectroscopy ◽  
Membrane Bound ◽  
Angle Spinning

scholarly journals Combination of solid state NMR and DFT calculation to elucidate the state of sodium in hard carbon electrodes

2016 ◽  
Vol 4 (34) ◽  
pp. 13183-13193 ◽  
Author(s):  
Ryohei Morita ◽  
Kazuma Gotoh ◽  
Mika Fukunishi ◽  
Kei Kubota ◽  
Shinichi Komaba ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Dft Calculation ◽  
Magic Angle Spinning ◽  
The State ◽  
Mas Nmr ◽  
Magic Angle ◽  
Multiple Quantum ◽  
Hard Carbon ◽  
Angle Spinning

We examined the state of sodium electrochemically inserted in HC prepared at 700–2000 °C using solid state Na magic angle spinning (MAS) NMR and multiple quantum (MQ) MAS NMR.

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