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Subdiffusive-Brownian crossover in membrane proteins: a generalized Langevin equation-based approach
In this work, we propose a generalized Langevin equation-based model to describe the lateral diffusion of a protein in a lipid bilayer. The memory kernel is represented in terms of a viscous (instantaneous) and an elastic (noninstantaneous) component modeled through a Dirac δ function and a three-pa...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Biophysical Society
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8595736/ https://www.ncbi.nlm.nih.gov/pubmed/34592261 http://dx.doi.org/10.1016/j.bpj.2021.09.033 |
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author | Di Cairano, Loris Stamm, Benjamin Calandrini, Vania |
author_facet | Di Cairano, Loris Stamm, Benjamin Calandrini, Vania |
author_sort | Di Cairano, Loris |
collection | PubMed |
description | In this work, we propose a generalized Langevin equation-based model to describe the lateral diffusion of a protein in a lipid bilayer. The memory kernel is represented in terms of a viscous (instantaneous) and an elastic (noninstantaneous) component modeled through a Dirac δ function and a three-parameter Mittag-Leffler type function, respectively. By imposing a specific relationship between the parameters of the three-parameter Mittag-Leffler function, the different dynamical regimes—namely ballistic, subdiffusive, and Brownian, as well as the crossover from one regime to another—are retrieved. Within this approach, the transition time from the ballistic to the subdiffusive regime and the spectrum of relaxation times underlying the transition from the subdiffusive to the Brownian regime are given. The reliability of the model is tested by comparing the mean-square displacement derived in the framework of this model and the mean-square displacement of a protein diffusing in a membrane calculated through molecular dynamics simulations. |
format | Online Article Text |
id | pubmed-8595736 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | The Biophysical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-85957362022-11-02 Subdiffusive-Brownian crossover in membrane proteins: a generalized Langevin equation-based approach Di Cairano, Loris Stamm, Benjamin Calandrini, Vania Biophys J Articles In this work, we propose a generalized Langevin equation-based model to describe the lateral diffusion of a protein in a lipid bilayer. The memory kernel is represented in terms of a viscous (instantaneous) and an elastic (noninstantaneous) component modeled through a Dirac δ function and a three-parameter Mittag-Leffler type function, respectively. By imposing a specific relationship between the parameters of the three-parameter Mittag-Leffler function, the different dynamical regimes—namely ballistic, subdiffusive, and Brownian, as well as the crossover from one regime to another—are retrieved. Within this approach, the transition time from the ballistic to the subdiffusive regime and the spectrum of relaxation times underlying the transition from the subdiffusive to the Brownian regime are given. The reliability of the model is tested by comparing the mean-square displacement derived in the framework of this model and the mean-square displacement of a protein diffusing in a membrane calculated through molecular dynamics simulations. The Biophysical Society 2021-11-02 2021-09-28 /pmc/articles/PMC8595736/ /pubmed/34592261 http://dx.doi.org/10.1016/j.bpj.2021.09.033 Text en © 2021 Biophysical Society. https://creativecommons.org/licenses/by/4.0/This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Articles Di Cairano, Loris Stamm, Benjamin Calandrini, Vania Subdiffusive-Brownian crossover in membrane proteins: a generalized Langevin equation-based approach |
title | Subdiffusive-Brownian crossover in membrane proteins: a generalized Langevin equation-based approach |
title_full | Subdiffusive-Brownian crossover in membrane proteins: a generalized Langevin equation-based approach |
title_fullStr | Subdiffusive-Brownian crossover in membrane proteins: a generalized Langevin equation-based approach |
title_full_unstemmed | Subdiffusive-Brownian crossover in membrane proteins: a generalized Langevin equation-based approach |
title_short | Subdiffusive-Brownian crossover in membrane proteins: a generalized Langevin equation-based approach |
title_sort | subdiffusive-brownian crossover in membrane proteins: a generalized langevin equation-based approach |
topic | Articles |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8595736/ https://www.ncbi.nlm.nih.gov/pubmed/34592261 http://dx.doi.org/10.1016/j.bpj.2021.09.033 |
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