Multiscale modelling of the extracellular matrix.
Basement membrane
CG, coarse-grained
Cryo-EM, cryogenic electron microscopy
DOF, degrees of freedom
ECM, extracellular matrix
EGF, epidermal growth factor
Extracellular matrix
FEM, finite element method
MD, molecular dynamics
Mesoscopic scale
Modelling
NC, non-collagenous
NMR, nuclear magnetic resonance
Rigid bodies
SAXS, small-angle X-ray scattering
Simulation
Journal
Matrix biology plus
ISSN: 2590-0285
Titre abrégé: Matrix Biol Plus
Pays: Netherlands
ID NLM: 101775320
Informations de publication
Date de publication:
Feb 2022
Feb 2022
Historique:
received:
19
07
2021
revised:
06
12
2021
accepted:
07
12
2021
entrez:
24
1
2022
pubmed:
25
1
2022
medline:
25
1
2022
Statut:
epublish
Résumé
The extracellular matrix is a complex three-dimensional network of molecules that provides cells with a complex microenvironment. The major constituents of the extracellular matrix such as collagen, elastin and associated proteins form supramolecular assemblies contributing to its physicochemical properties and organization. The structure of proteins and their supramolecular assemblies such as fibrils have been studied at the atomic level (e.g., by X-ray crystallography, Nuclear Magnetic Resonance and cryo-Electron Microscopy) or at the microscopic scale. However, many protein complexes are too large to be studied at the atomic level and too small to be studied by microscopy. Most extracellular matrix components fall into this intermediate scale, so-called the mesoscopic scale, preventing their detailed characterization. Simulation and modelling are some of the few powerful and promising approaches that can deepen our understanding of mesoscale systems. We have developed a set of modelling tools to study the self-organization of the extracellular matrix and large motion of macromolecules at the mesoscale level by taking advantage of the dynamics of articulated rigid bodies as a mean to study a larger range of motions at the cost of atomic resolution.
Identifiants
pubmed: 35072037
doi: 10.1016/j.mbplus.2021.100096
pii: S2590-0285(21)00040-5
pmc: PMC8763633
doi:
Types de publication
Journal Article
Langues
eng
Pagination
100096Informations de copyright
© 2021 The Author(s).
Déclaration de conflit d'intérêts
The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
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