Molecular dynamics of (η6-arene)tricarbonylchromium complexes in the solid state: carbon-13 nuclear magnetic resonance and crystal structure of [Cr(η6-C6HMe5)(CO)3]

1997 ◽  
pp. 353-358 ◽  
Author(s):  
Patrick J. Barrie ◽  
Christiana A. Mitsopoulou ◽  
Majid Motevalli ◽  
Edward W. Randall
Keyword(s):  
Crystal Structure ◽  
Molecular Dynamics ◽  
Nuclear Magnetic Resonance ◽  
Solid State ◽  
Magnetic Resonance ◽  
Tricarbonylchromium Complexes ◽  
Nuclear Magnetic

scholarly journals Structure and Dynamics of Spider Silk Studied with Solid-State Nuclear Magnetic Resonance and Molecular Dynamics Simulation

Molecules ◽  
2020 ◽  
Vol 25 (11) ◽  
pp. 2634
Author(s):  
Tetsuo Asakura
Keyword(s):  
Molecular Dynamics ◽  
Nuclear Magnetic Resonance ◽  
Solid State ◽  
Magnetic Resonance ◽  
Solid State Nmr ◽  
Md Simulation ◽  
Isotope Labeling ◽  
Dynamics Simulation ◽  
Structure And Dynamics ◽  
Nuclear Magnetic

This review will introduce very recent studies using solid-state nuclear magnetic resonance (NMR) and molecular dynamics (MD) simulation on the structure and dynamics of spider dragline silks conducted by the author’s research group. Spider dragline silks possess extraordinary mechanical properties by combining high tensile strength with outstanding elongation before breaking, and therefore continue to attract attention of researchers in biology, biochemistry, biophysics, analytical chemistry, polymer technology, textile technology, and tissue engineering. However, the inherently non-crystalline structure means that X-ray diffraction and electron diffraction methods provide only limited information because it is difficult to study the molecular structure of the amorphous region. The most detailed picture of the structure and dynamics of the silks in the solid state experimentally have come from solid-state NMR measurements coupled with stable isotope labeling of the silks and the related silk peptides. In addition, combination of solid-state NMR and MD simulation was very powerful analytical tools to understand the local conformation and dynamics of the spider dragline silk in atomic resolution. In this review, the author will emphasize how solid-state NMR and MD simulation have contributed to a better understanding of the structure and dynamics in the spider dragline silks.

Probing the Molecular Dynamics of the ABC Multidrug Transporter LmrA by Deuterium Solid-State Nuclear Magnetic Resonance†

Biochemistry ◽  
2007 ◽  
Vol 46 (11) ◽  
pp. 3075-3083 ◽  
Author(s):  
Alena Siarheyeva ◽  
Jakob J. Lopez ◽  
Ines Lehner ◽  
Ute A. Hellmich ◽  
Hendrik W. van Veen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Nuclear Magnetic Resonance ◽  
Solid State ◽  
Magnetic Resonance ◽  
Multidrug Transporter ◽  
Nuclear Magnetic

scholarly journals Molecular dynamics computations and solid state nuclear magnetic resonance of the gramicidin cation channel

1991 ◽  
Vol 60 (4) ◽  
pp. 974-978 ◽  
Author(s):  
S.W. Chiu ◽  
L.K. Nicholson ◽  
M.T. Brenneman ◽  
S. Subramaniam ◽  
Q. Teng ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Nuclear Magnetic Resonance ◽  
Solid State ◽  
Magnetic Resonance ◽  
Cation Channel ◽  
Nuclear Magnetic
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