In-silico Assessment of Protein-Protein Electron Transfer. A Case Study: Cytochrome c Peroxidase – Cytochrome c

The fast development of software and hardware is notably helping in closing the gap between macroscopic and microscopic data. Using a novel theoretical strategy combining molecular dynamics simulations, conformational clustering, ab-initio quantum mechanics and electronic coupling calculations, we s...

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Bibliographic Details
Main Authors: Wallrapp, Frank H., Voityuk, Alexander A., Guallar, Victor
Format: Artigo
Language:Inglês
Published: Public Library of Science 2013
Subjects:
Research Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC3605091/
https://ncbi.nlm.nih.gov/pubmed/23555224
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1002990
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