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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...

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Detalles Bibliográficos
Autores principales: Di Cairano, Loris, Stamm, Benjamin, Calandrini, Vania
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Biophysical Society 2021
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.
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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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