Cytochrome C on a gold surface: investigating structural relaxations and their role in protein–surface electron transfer by molecular dynamics simulations

2013 ◽  
Vol 15 (16) ◽  
pp. 5945 ◽  
Author(s):  
Magdalena E. Siwko ◽  
Stefano Corni
Keyword(s):  
Molecular Dynamics ◽  
Electron Transfer ◽  
Cytochrome C ◽  
Molecular Dynamics Simulations ◽  
Gold Surface ◽  
Surface Electron ◽  
Protein Surface ◽  
Dynamics Simulations

scholarly journals Data for molecular dynamics simulations of B-type cytochrome c oxidase with the Amber force field

Data in Brief ◽  
2016 ◽  
Vol 8 ◽  
pp. 1209-1214 ◽  
Author(s):  
Longhua Yang ◽  
Åge A. Skjevik ◽  
Wen-Ge Han Du ◽  
Louis Noodleman ◽  
Ross C. Walker ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Cytochrome C ◽  
Force Field ◽  
Molecular Dynamics Simulations ◽  
Cytochrome C Oxidase ◽  
Amber Force Field ◽  
Dynamics Simulations

scholarly journals Water exit pathways and proton pumping mechanism in B-type cytochrome c oxidase from molecular dynamics simulations

2016 ◽  
Vol 1857 (9) ◽  
pp. 1594-1606 ◽  
Author(s):  
Longhua Yang ◽  
Åge A. Skjevik ◽  
Wen-Ge Han Du ◽  
Louis Noodleman ◽  
Ross C. Walker ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Cytochrome C ◽  
Molecular Dynamics Simulations ◽  
Cytochrome C Oxidase ◽  
Proton Pumping ◽  
Dynamics Simulations ◽  
Water Exit
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