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Nonlinear network model analysis of vibrational energy transfer and localisation in the Fenna-Matthews-Olson complex

Collective protein modes are expected to be important for facilitating energy transfer in the Fenna-Matthews-Olson (FMO) complex of photosynthetic green sulphur bacteria, however to date little work has focussed on the microscopic details of these vibrations. The nonlinear network model (NNM) provid...

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Autores principales: Morgan, Sarah E., Cole, Daniel J., Chin, Alex W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5101523/
https://www.ncbi.nlm.nih.gov/pubmed/27827409
http://dx.doi.org/10.1038/srep36703
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author Morgan, Sarah E.
Cole, Daniel J.
Chin, Alex W.
author_facet Morgan, Sarah E.
Cole, Daniel J.
Chin, Alex W.
author_sort Morgan, Sarah E.
collection PubMed
description Collective protein modes are expected to be important for facilitating energy transfer in the Fenna-Matthews-Olson (FMO) complex of photosynthetic green sulphur bacteria, however to date little work has focussed on the microscopic details of these vibrations. The nonlinear network model (NNM) provides a computationally inexpensive approach to studying vibrational modes at the microscopic level in large protein structures, whilst incorporating anharmonicity in the inter-residue interactions which can influence protein dynamics. We apply the NNM to the entire trimeric FMO complex and find evidence for the existence of nonlinear discrete breather modes. These modes tend to transfer energy to the highly connected core pigments, potentially opening up alternative excitation energy transfer routes through their influence on pigment properties. Incorporating localised modes based on these discrete breathers in the optical spectra calculations for FMO using ab initio site energies and excitonic couplings can substantially improve their agreement with experimental results.
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spelling pubmed-51015232016-11-14 Nonlinear network model analysis of vibrational energy transfer and localisation in the Fenna-Matthews-Olson complex Morgan, Sarah E. Cole, Daniel J. Chin, Alex W. Sci Rep Article Collective protein modes are expected to be important for facilitating energy transfer in the Fenna-Matthews-Olson (FMO) complex of photosynthetic green sulphur bacteria, however to date little work has focussed on the microscopic details of these vibrations. The nonlinear network model (NNM) provides a computationally inexpensive approach to studying vibrational modes at the microscopic level in large protein structures, whilst incorporating anharmonicity in the inter-residue interactions which can influence protein dynamics. We apply the NNM to the entire trimeric FMO complex and find evidence for the existence of nonlinear discrete breather modes. These modes tend to transfer energy to the highly connected core pigments, potentially opening up alternative excitation energy transfer routes through their influence on pigment properties. Incorporating localised modes based on these discrete breathers in the optical spectra calculations for FMO using ab initio site energies and excitonic couplings can substantially improve their agreement with experimental results. Nature Publishing Group 2016-11-09 /pmc/articles/PMC5101523/ /pubmed/27827409 http://dx.doi.org/10.1038/srep36703 Text en Copyright © 2016, The Author(s) http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Morgan, Sarah E.
Cole, Daniel J.
Chin, Alex W.
Nonlinear network model analysis of vibrational energy transfer and localisation in the Fenna-Matthews-Olson complex
title Nonlinear network model analysis of vibrational energy transfer and localisation in the Fenna-Matthews-Olson complex
title_full Nonlinear network model analysis of vibrational energy transfer and localisation in the Fenna-Matthews-Olson complex
title_fullStr Nonlinear network model analysis of vibrational energy transfer and localisation in the Fenna-Matthews-Olson complex
title_full_unstemmed Nonlinear network model analysis of vibrational energy transfer and localisation in the Fenna-Matthews-Olson complex
title_short Nonlinear network model analysis of vibrational energy transfer and localisation in the Fenna-Matthews-Olson complex
title_sort nonlinear network model analysis of vibrational energy transfer and localisation in the fenna-matthews-olson complex
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5101523/
https://www.ncbi.nlm.nih.gov/pubmed/27827409
http://dx.doi.org/10.1038/srep36703
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