ArticleBiophysical journal2006
Examining the influence of linkers and tertiary structure in the forced unfolding of multiple-repeat spectrin molecules.
Article in Biophysical journal, 2006. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed.
- Bayesian-Steered Structure Prediction of Mechanical Biomolecules Using Twisted Diffusion.bioRxiv : the preprint server for biology · 2026Article
- Mechanical behavior of actin and spectrin subjected to high strain rate: A molecular dynamics simulation study.Computational and structural biotechnology journal · 2021Article
- Mechanical Unfolding of Spectrin Repeats Induces Water-Molecule Ordering.Biophysical journal · 2020Article
- When Stiffness Matters: Mechanosensing in Heart Development and Disease.Frontiers in cell and developmental biology · 2020Review
- The mechano-sensing role of the unique SH3 insertion in plakin domains revealed by Molecular Dynamics simulations.Scientific reports · 2017Article
- The nesprin-cytoskeleton interface probed directly on single nuclei is a mechanically rich system.Nucleus (Austin, Tex.) · 2017Article
- A novel strain energy relationship for red blood cell membrane skeleton based on spectrin stiffness and its application to micropipette deformation.Biomechanics and modeling in mechanobiology · 2016Article
- Crystal structure of a rigid four-spectrin-repeat fragment of the human desmoplakin plakin domain.Journal of molecular biology · 2011Article
- Multiscale simulation of erythrocyte membranes.Physical review. E, Statistical, nonlinear, and soft matter physics · 2010Article
- Discovery through the computational microscope.Structure (London, England : 1993) · 2009Review
- Article
- Molecular epitopes of the ankyrin-spectrin interaction.Biochemistry · 2008Article
- The allosteric role of the Ca2+ switch in adhesion and elasticity of C-cadherin.Biophysical journal · 2008Article
- Spectrin folding versus unfolding reactions and RBC membrane stiffness.Biophysical journal · 2008Article
- How force might activate talin's vinculin binding sites: SMD reveals a structural mechanism.PLoS computational biology · 2008Article
- Unique elastic properties of the spectrin tetramer as revealed by multiscale coarse-grained modeling.Proceedings of the National Academy of Sciences of the United States of America · 2008Article
- Hierarchies, multiple energy barriers, and robustness govern the fracture mechanics of alpha-helical and beta-sheet protein domains.Proceedings of the National Academy of Sciences of the United States of America · 2007Article
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2 authors.
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No grant is acknowledged in the PubMed record.
Abstract
The unfolding pathways of multiple-repeat spectrin molecules were examined using steered molecular dynamics (SMD) simulations to forcibly unfold double- and triple-repeat spectrin molecules. Although SMD has previously been used to study other repeating-domain proteins, spectrin offers a unique challenge in that the linker connecting repeat units has a definite secondary structure, that of an alpha-helix. Therefore, the boundary conditions imposed on a double- or triple-repeat spectrin must be carefully considered if any relationship to the real system is to be deduced. This was accomplished by imposing additional forces on the system which ensure that the terminal alpha-helices behave as if there were no free noncontiguous helical ends. The results of the SMD simulations highlight the importance of the rupture of the alpha-helical linker on the subsequent unfolding events. Rupture of the linker propagates unfolding in the adjacent repeat units by destabilizing the tertiary structure, ultimately resulting in complete unfolding of the affected repeat unit. Two dominant classes of unfolding pathways are observed after the initial rupture of a linker which involve either rupture of another linker (possibly adjacent) or rupture of the basic tertiary structure of a repeat unit. The relationship between the force response observed on simulation timescales and those of experiment or physiological conditions is also discussed.
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