Thermodynamic integration network study of electron transfer: from proteins to aggregates
Author:
Affiliation:
1. Institut für Physikalische Chemie
2. Universität Freiburg
3. D-79104 Freiburg im Breisgau
4. Germany
Abstract
We describe electron transfer through the NrfHA nitrite reductase using a thermodynamic integration scheme. Driving forces are hardly affected by dimerization, but the transport mechanism only emerges simulating the dimer.
Funder
Deutsche Forschungsgemeinschaft
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP03030D
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