Assessing the Structural Heterogeneity of Isomeric Homo and Copolymers: an Approach Combining Ion Mobility Mass Spectrometry and Molecular Dynamics Simulations

2020 ◽  
Vol 31 (11) ◽  
pp. 2379-2388
Author(s):  
Quentin Duez ◽  
Sébastien Moins ◽  
Olivier Coulembier ◽  
Julien De Winter ◽  
Jérôme Cornil ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Ion Mobility ◽  
Structural Heterogeneity ◽  
Ion Mobility Mass Spectrometry ◽  
Dynamics Simulations

Insights from ion mobility-mass spectrometry, infrared spectroscopy, and molecular dynamics simulations on nicotinamide adenine dinucleotide structural dynamics: NAD+vs. NADH

2018 ◽  
Vol 20 (10) ◽  
pp. 7043-7052 ◽  
Author(s):  
Juan Camilo Molano-Arevalo ◽  
Walter Gonzalez ◽  
Kevin Jeanne Dit Fouque ◽  
Jaroslava Miksovska ◽  
Philippe Maitre ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Molecular Dynamics ◽  
Structural Dynamics ◽  
Ion Mobility ◽  
Nicotinamide Adenine Dinucleotide ◽  
Living Cells ◽  
Nicotinamide Adenine ◽  
Ion Mobility Mass Spectrometry ◽  
Enzymatic Reactions ◽  
Dynamics Simulations

Nicotinamide adenine dinucleotide (NAD) is found in all living cells where the oxidized (NAD+) and reduced (NADH) forms play important roles in many enzymatic reactions.

scholarly journals Mass spectrometry captures structural intermediates in protein fiber self-assembly

2017 ◽  
Vol 53 (23) ◽  
pp. 3319-3322 ◽  
Author(s):  
Michael Landreh ◽  
Marlene Andersson ◽  
Erik G. Marklund ◽  
Qiupin Jia ◽  
Qing Meng ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Molecular Dynamics ◽  
Ion Mobility ◽  
Self Assembly ◽  
Spider Silk ◽  
Structural Models ◽  
Ion Mobility Mass Spectrometry ◽  
Silk Fibers ◽  
Protein Fiber ◽  
Dynamics Simulations

Integrating ion mobility mass spectrometry and molecular dynamics simulations provides insights into intermediates in spider silk formation. The resulting structural models reveal how soluble spidroin proteins use their terminal domains to assemble into silk fibers.

Gas-Phase Structure of the Histone Multimers Characterized by Ion Mobility Mass Spectrometry and Molecular Dynamics Simulation

2013 ◽  
Vol 85 (8) ◽  
pp. 4165-4171 ◽  
Author(s):  
Kazumi Saikusa ◽  
Sotaro Fuchigami ◽  
Kyohei Takahashi ◽  
Yuuki Asano ◽  
Aritaka Nagadoi ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Gas Phase ◽  
Ion Mobility ◽  
Phase Structure ◽  
Dynamics Simulation ◽  
Ion Mobility Mass Spectrometry ◽  
Gas Phase Structure
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