Multiscale models of integrins and cellular adhesions

Tamara C. Bidone, David J. Odde

Research output: Contribution to journalReview articlepeer-review

3 Scopus citations

Abstract

Computational models of integrin-based adhesion complexes have revealed important insights into the mechanisms by which cells establish connections with their external environment. However, how changes in conformation and function of individual adhesion proteins regulate the dynamics of whole adhesion complexes remains largely elusive. This is because of the large separation in time and length scales between the dynamics of individual adhesion proteins (nanoseconds and nanometers) and the emergent dynamics of the whole adhesion complex (seconds and micrometers), and the limitations of molecular simulation approaches in extracting accurate free energies, conformational transitions, reaction mechanisms, and kinetic rates, that can inform mechanisms at the larger scales. In this review, we discuss models of integrin-based adhesion complexes and highlight their main findings regarding: (i) the conformational transitions of integrins at the molecular and macromolecular scales and (ii) the molecular clutch mechanism at the mesoscale. Lastly, we present unanswered questions in the field of modeling adhesions and propose new ideas for future exciting modeling opportunities.

Original languageEnglish (US)
Article number102576
JournalCurrent Opinion in Structural Biology
Volume80
DOIs
StatePublished - Jun 2023

Bibliographical note

Publisher Copyright:
© 2023 Elsevier Ltd

PubMed: MeSH publication types

  • Journal Article
  • Review
  • Research Support, N.I.H., Extramural

Fingerprint

Dive into the research topics of 'Multiscale models of integrins and cellular adhesions'. Together they form a unique fingerprint.

Cite this