Probability current in protein electron transfer reactions: a Green function pathway model.
J Chem Phys
; 122(12): 124713, 2005 Mar 22.
Article
em En
| MEDLINE
| ID: mdl-15836415
In a biological electron transfer reaction problem we have found distinct electron probability current representations of macromolecular currents, amino acid and interamino acid currents, atomic and interatomic currents. We present a general interatomic current approach to obtain the electron probability current from donor to acceptor sites, and vice versa. Symmetric (or antisymmetric) renormalizable interatomic currents provide exact (or approximate) effective tunneling matrix element between donor and acceptor states. The electron probability currents allow us to investigate stationary tunneling pathways through protein bridge medium, from molecular to subatomic resolution at any level of electronic description of the biological structure. Analytical comparison among interatomic pathway models is presented and we found equivalent interatomic current representations with distinct dependence on the tunneling energy from the weak to strong coupling between protein bridge and the donoracceptor sites.
Buscar no Google
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Proteínas
/
Elétrons
/
Modelos Biológicos
Idioma:
En
Revista:
J Chem Phys
Ano de publicação:
2005
Tipo de documento:
Article
País de afiliação:
Brasil
País de publicação:
Estados Unidos