First-principles molecular dynamics study of proton transfer mechanism in bovine cytochromecoxidase

2007 ◽  
Vol 19 (36) ◽  
pp. 365220 ◽  
Author(s):  
Katsumasa Kamiya ◽  
Mauro Boero ◽  
Masaru Tateno ◽  
Kenji Shiraishi ◽  
Atsushi Oshiyama
Keyword(s):  
Molecular Dynamics ◽  
Proton Transfer ◽  
First Principles ◽  
Transfer Mechanism ◽  
First Principles Molecular Dynamics

scholarly journals Protection of DNA against low-energy electrons by amino acids: a first-principles molecular dynamics study

2014 ◽  
Vol 16 (44) ◽  
pp. 24350-24358 ◽  
Author(s):  
Bin Gu ◽  
Maeve Smyth ◽  
Jorge Kohanoff
Keyword(s):  
Molecular Dynamics ◽  
Amino Acids ◽  
Proton Transfer ◽  
First Principles ◽  
Low Energy ◽  
Energy Electron ◽  
Low Energy Electrons ◽  
Low Energy Electron ◽  
First Principles Molecular Dynamics

The physical shielding and chemical stabilizing of the low energy electron by glycine around the thymine through proton transfer.

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