scholarly journals Protein/peptide characterization using mass spectrometry and molecular dynamics simulations

2020 ◽  
Author(s):  
Ahmad Kiani Karanji
Keyword(s):  
Mass Spectrometry ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Peptide Characterization ◽  
Dynamics Simulations

scholarly journals Study of the thermal decomposition mechanism of FOX-7 by molecular dynamics simulation and online photoionization mass spectrometry

RSC Advances ◽  
2020 ◽  
Vol 10 (36) ◽  
pp. 21147-21157
Author(s):  
Liping Jiang ◽  
Xiaolong Fu ◽  
Zhongyue Zhou ◽  
Chongmin Zhang ◽  
Jizhen Li ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Molecular Dynamics ◽  
Thermal Decomposition ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Decomposition Mechanism ◽  
Dynamics Simulation ◽  
Thermal Decomposition Mechanism ◽  
Photoionization Mass Spectrometry ◽  
Dynamics Simulations

In this work, the primary thermal decomposition mechanism of 1,1-diamino-2,2-dinitroethylene (FOX-7) was studied by ReaxFF molecular dynamics simulations and online photoionization mass spectrometry.

Charging and supercharging of proteins for mass spectrometry: recent insights into the mechanisms of electrospray ionization

The Analyst ◽  
2019 ◽  
Vol 144 (21) ◽  
pp. 6157-6171 ◽  
Author(s):  
Lars Konermann ◽  
Haidy Metwally ◽  
Quentin Duez ◽  
Insa Peters
Keyword(s):  
Mass Spectrometry ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Electrospray Ionization ◽  
Experimental Conditions ◽  
Dynamics Simulations

Molecular dynamics simulations have uncovered mechanistic details of the protein ESI process under various experimental conditions.

Molecular Dynamics Simulations Provide Atomistic Insight into Hydrogen Exchange Mass Spectrometry Experiments

2012 ◽  
Vol 9 (1) ◽  
pp. 658-669 ◽  
Author(s):  
Ariel A. Petruk ◽  
Lucas A. Defelipe ◽  
Ramiro G. Rodríguez Limardo ◽  
Hernán Bucci ◽  
Marcelo A. Marti ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Hydrogen Exchange ◽  
Exchange Mass Spectrometry ◽  
Hydrogen Exchange Mass Spectrometry ◽  
Dynamics Simulations ◽  
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