Journal Article

FZJ-2021-03675

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Subdiffusive-Brownian crossover in membrane proteins: a Generalized Langevin Equation-based approach

Di Cairano, L. (Corresponding author)FZJ* ; Stamm, B. (Corresponding author)RWTH* ; Calandrini, V. (Corresponding author)FZJ*

2021
Soc. Bethesda, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/29615  doi:10.1016/j.bpj.2021.09.033

Abstract: In this paper, we propose a Generalized Langevin Equation (GLE)-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 (non instantaneous) component modeled respectively through a Dirac delta function and a three-parameter Mittag-Leffler type function. By imposing a specific relationship between the parameters of the three-parameters 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 Squared Displacement (MSD) derived in the framework of this model and the MSD of a protein diffusing in a membrane calculated through molecular dynamics (MD) simulations.

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Contributing Institute(s):

1. Computational Biomedicine (IAS-5)
2. Computational Biomedicine (INM-9)

Research Program(s):

1. 5241 - Molecular Information Processing in Cellular Systems (POF4-524) (POF4-524)
2. 5244 - Information Processing in Neuronal Networks (POF4-524) (POF4-524)

Appears in the scientific report 2021

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Database coverage:
; ; ; BIOSIS Previews ; Biological Abstracts ; Clarivate Analytics Master Journal List ; Current Contents - Life Sciences ; Essential Science Indicators ; IF < 5 ; JCR ; PubMed Central ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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