Remeshing flexible membranes under the control of free energy.

Cell membranes are flexible and often undergo large-scale morphological changes during processes like mitosis, protrusion and retraction, or vesicle fusion. Mathematical modeling of cell membranes depends on a representation of the free-form surface by discrete meshes. During morphological changes,...

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Main Authors: Xinxin Wang, Gaudenz Danuser
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2022-12-01
Series:PLoS Computational Biology
Online Access:https://doi.org/10.1371/journal.pcbi.1010766
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author Xinxin Wang
Gaudenz Danuser
author_facet Xinxin Wang
Gaudenz Danuser
author_sort Xinxin Wang
collection DOAJ
description Cell membranes are flexible and often undergo large-scale morphological changes during processes like mitosis, protrusion and retraction, or vesicle fusion. Mathematical modeling of cell membranes depends on a representation of the free-form surface by discrete meshes. During morphological changes, these meshes must be adjusted under the minimization of the total free energy. Current methodology for meshing is limited in one of two ways: 1) Free energy-dependent methods have no restriction on the mesh geometry. The resulting irregular meshes cause artifacts in follow-up models of morphodynamics. 2) Geometry-dependent methods maintain mesh quality but violate the physics of free energy minimization. To fill this gap, we regulate mesh geometries via a free-energy-determined remeshing process: adding and removing mesh elements upon morphological changes based on barrier crossings in a double-barrier potential between neighboring vertices in the meshes. We test the method's robustness by reproducing the morphodynamics of red blood cells and vesicle fusions; and we demonstrate the method's adaptability by simulating the formation of filopodia, lamellipodia and invaginations. Finally, we use the method to study a mechanical decoupling effect of two connected membrane tethers that has been recently observed experimentally, but has not been mechanistically explained in the context of a complete membrane surface. We propose a biophysical model that strengthens the decoupling effect and broadens the original interpretation of the experiment. The method is developed in C/Matlab and distributed via https://github.com/DanuserLab/biophysicsModels.
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spelling doaj.art-cfa5f0c053fa46a898598899df41e7162023-03-12T05:31:35ZengPublic Library of Science (PLoS)PLoS Computational Biology1553-734X1553-73582022-12-011812e101076610.1371/journal.pcbi.1010766Remeshing flexible membranes under the control of free energy.Xinxin WangGaudenz DanuserCell membranes are flexible and often undergo large-scale morphological changes during processes like mitosis, protrusion and retraction, or vesicle fusion. Mathematical modeling of cell membranes depends on a representation of the free-form surface by discrete meshes. During morphological changes, these meshes must be adjusted under the minimization of the total free energy. Current methodology for meshing is limited in one of two ways: 1) Free energy-dependent methods have no restriction on the mesh geometry. The resulting irregular meshes cause artifacts in follow-up models of morphodynamics. 2) Geometry-dependent methods maintain mesh quality but violate the physics of free energy minimization. To fill this gap, we regulate mesh geometries via a free-energy-determined remeshing process: adding and removing mesh elements upon morphological changes based on barrier crossings in a double-barrier potential between neighboring vertices in the meshes. We test the method's robustness by reproducing the morphodynamics of red blood cells and vesicle fusions; and we demonstrate the method's adaptability by simulating the formation of filopodia, lamellipodia and invaginations. Finally, we use the method to study a mechanical decoupling effect of two connected membrane tethers that has been recently observed experimentally, but has not been mechanistically explained in the context of a complete membrane surface. We propose a biophysical model that strengthens the decoupling effect and broadens the original interpretation of the experiment. The method is developed in C/Matlab and distributed via https://github.com/DanuserLab/biophysicsModels.https://doi.org/10.1371/journal.pcbi.1010766
spellingShingle Xinxin Wang
Gaudenz Danuser
Remeshing flexible membranes under the control of free energy.
PLoS Computational Biology
title Remeshing flexible membranes under the control of free energy.
title_full Remeshing flexible membranes under the control of free energy.
title_fullStr Remeshing flexible membranes under the control of free energy.
title_full_unstemmed Remeshing flexible membranes under the control of free energy.
title_short Remeshing flexible membranes under the control of free energy.
title_sort remeshing flexible membranes under the control of free energy
url https://doi.org/10.1371/journal.pcbi.1010766
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