ArticleBiophysical journal2013
A comparison of coarse-grained and continuum models for membrane bending in lipid bilayer fusion pores.
Article in Biophysical journal, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed.
- Somatostatin modulation of initial fusion pores in CaThe Journal of physiology · 2025Article
- Three membrane fusion pore families determine the pathway to pore dilation.Biophysical journal · 2023Article
- Simulated dynamic cholesterol redistribution favors membrane fusion pore constriction.Biophysical journal · 2023Article
- Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure.Journal of chemical theory and computation · 2023Article
- Ultrafast physical bacterial inactivation and photocatalytic self-cleaning of ZnO nanoarrays for rapid and sustainable bactericidal applications.The Science of the total environment · 2020Article
- Fusion Pore Expansion and Contraction during Catecholamine Release from Endocrine Cells.Biophysical journal · 2020Article
- Multiscale Simulations of Biological Membranes: The Challenge To Understand Biological Phenomena in a Living Substance.Chemical reviews · 2019Article
- Computational Modeling of Realistic Cell Membranes.Chemical reviews · 2019Review
- Characterization of Lipid-Protein Interactions and Lipid-Mediated Modulation of Membrane Protein Function through Molecular Simulation.Chemical reviews · 2019Review
- Molecular mechanism of fusion pore formation driven by the neuronal SNARE complex.Proceedings of the National Academy of Sciences of the United States of America · 2018Article
- Membrane-mediated interaction drives mitochondrial ATPase assembly and cristae formation.The Journal of general physiology · 2018Article
- Mechanics of post-fusion exocytotic vesicle.Physical biology · 2017Article
- Fusion pores and their control of neurotransmitter and hormone release.The Journal of general physiology · 2017Review
- Large-Conductance Transmembrane Porin Made from DNA Origami.ACS nano · 2016Article
- Continuum descriptions of membranes and their interaction with proteins: Towards chemically accurate models.Biochimica et biophysica acta · 2016Review
- Calculating Transition Energy Barriers and Characterizing Activation States for Steps of Fusion.Biophysical journal · 2016Article
- Continuum approaches to understanding ion and peptide interactions with the membrane.The Journal of membrane biology · 2014Article
- CHARMM-GUI PACE CG Builder for solution, micelle, and bilayer coarse-grained simulations.Journal of chemical information and modeling · 2014Article
- Teardrop shapes minimize bending energy of fusion pores connecting planar bilayers.Physical review. E, Statistical, nonlinear, and soft matter physics · 2013Article
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Authors and funding
3 authors.
Funding
Abstract
To establish the validity of continuum mechanics models quantitatively for the analysis of membrane remodeling processes, we compare the shape and energies of the membrane fusion pore predicted by coarse-grained (MARTINI) and continuum mechanics models. The results at these distinct levels of resolution give surprisingly consistent descriptions for the shape of the fusion pore, and the deviation between the continuum and coarse-grained models becomes notable only when the radius of curvature approaches the thickness of a monolayer. Although slow relaxation beyond microseconds is observed in different perturbative simulations, the key structural features (e.g., dimension and shape of the fusion pore near the pore center) are consistent among independent simulations. These observations provide solid support for the use of coarse-grained and continuum models in the analysis of membrane remodeling. The combined coarse-grained and continuum analysis confirms the recent prediction of continuum models that the fusion pore is a metastable structure and that its optimal shape is neither toroidal nor catenoidal. Moreover, our results help reveal a new, to our knowledge, bowing feature in which the bilayers close to the pore axis separate more from one another than those at greater distances from the pore axis; bowing helps reduce the curvature and therefore stabilizes the fusion pore structure. The spread of the bilayer deformations over distances of hundreds of nanometers and the substantial reduction in energy of fusion pore formation provided by this spread indicate that membrane fusion can be enhanced by allowing a larger area of membrane to participate and be deformed.
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