How Are Completely Desolvated Ions Produced in Electrospray Ionization: Insights from Molecular Dynamics Simulations

2011 ◽  
Vol 83 (22) ◽  
pp. 8372-8376 ◽  
Author(s):  
Christopher D. Daub ◽  
Natalie M. Cann
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Electrospray Ionization ◽  
Dynamics Simulations

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.

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