Conformationally averaged score functions for electronic propagation in proteins

Article Abstract:

The influence of conformational dynamics on protein-mediated electron donor-acceptor interactions is explored and a thermally averaged score function is described to characterize electronic propagation from redox cofactors into the protein and solvent. The subtle effects of quantum interference among multiple coupling pathways that arise in static structures are largely averaged out when protein thermal motion is included and the propagation through bulk water near the single-protein interface decays rapidly with distance.

Proteins, Conformational analysis, Protein structure, Electron donor-acceptor complexes

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Interference, fluctuation, and alternation of electron tunneling in protein media: 2. Non-Condon theory for the energy gap dependence of electron transfer rate

Article Abstract:

A new theory for the electron transfer (ET) rate incorporating the non-Condon effect is presented as correctly as possible. A recipe is presented by which the decoupling of the tunneling mechanism into the elastic and inelastic ones is made with a mathematical principle and the dynamic property of the non-Condon effect is represented in the inelastic mechanism.

Analysis, Electron transport, Spin coupling

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