Molecular dynamics simulation of the solvation of benzene anion with different charge distributions: application to self-exchange electron-transfer reactions

1991 ◽  
Vol 95 (12) ◽  
pp. 4843-4848 ◽  
Author(s):  
Per Linse ◽  
Kurt V. Mikkelsen
Keyword(s):  
Molecular Dynamics ◽  
Electron Transfer ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Transfer Reactions ◽  
Electron Transfer Reactions ◽  
Charge Distributions

Molecular dynamics simulation of electron-transfer reactions in solution

1989 ◽  
Vol 93 (17) ◽  
pp. 6261-6265 ◽  
Author(s):  
Dominic A. Zichi ◽  
Giovanni Ciccotti ◽  
James T. Hynes ◽  
Mauro Ferrario
Keyword(s):  
Molecular Dynamics ◽  
Electron Transfer ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Transfer Reactions ◽  
Electron Transfer Reactions

Theoretical analyses of the fluorescence lifetimes of the d-amino acid oxidase–benzoate complex dimer from porcine kidney: molecular dynamics simulation and photoinduced electron transfer

RSC Advances ◽  
2014 ◽  
Vol 4 (96) ◽  
pp. 54096-54108 ◽  
Author(s):  
Arthit Nueangaudom ◽  
Kiattisak Lugsanangarm ◽  
Somsak Pianwanit ◽  
Sirirat Kokpol ◽  
Nadtanet Nunthaboot ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electron Transfer ◽  
Amino Acid ◽  
Molecular Dynamics Simulation ◽  
Photoinduced Electron Transfer ◽  
Aromatic Amino Acids ◽  
Dynamics Simulation ◽  
Acid Oxidase ◽  
Amino Acid Oxidase ◽  
Electron Transfer Theory

The mechanism of photoinduced electron transfer from benzoate and aromatic amino acids to the excited isoalloxazine in the d-amino acid oxidase–benzoate complex dimer was studied using molecular dynamics simulation and an electron transfer theory.

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