scholarly journals Molecular dynamics simulations of tubulin structure and calculations of electrostatic properties of microtubules

2005 ◽  
Vol 41 (10) ◽  
pp. 1055-1070 ◽  
Author(s):  
J.A. Tuszyński ◽  
J.A. Brown ◽  
E. Crawford ◽  
E.J. Carpenter ◽  
M.L.A. Nip ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Electrostatic Properties ◽  
Dynamics Simulations ◽  
Tubulin Structure

Salt-in-water and water-in-salt electrolytes: The effects of the asymmetry in cation and anion valence on its properties

2021 ◽  
Author(s):  
Andresa Messias ◽  
Débora Ariana Corrêa da Silva ◽  
Eudes E. Fileti
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Ion Pairs ◽  
Structural Dynamic ◽  
Electrostatic Properties ◽  
The Asymmetry ◽  
Dynamics Simulations

We investigated the structural, dynamic, energetic, and electrostatic properties of electrolytes based on the ion pairs LiCl and Li2SO4. Atomistic molecular dynamics simulations were used to simulate these aqueous electrolytic...

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