ArticleBiophysical journal2011
Relation between molecular shape and the morphology of self-assembling aggregates: a simulation study.
Article in Biophysical journal, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 25 papers.
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Who cites it
25 citing papers in PubMed.
- Neurodegeneration Through the Lens of Bioinformatics Approaches: Computational Mechanisms of Protein Misfolding.International journal of molecular sciences · 2025Review
- Exploring Abeta42 monomer diffusion dynamics on fibril surfaces through molecular simulations.Protein science : a publication of the Protein Society · 2025Article
- Prediction and Evaluation of Protein Aggregation with Computational Methods.Methods in molecular biology (Clifton, N.J.) · 2025Review
- Production of Distinct Fibrillar, Oligomeric, and Other Aggregation States from Network Models of Multibody Interaction.Journal of chemical theory and computation · 2024Article
- Pathways to a Shiny Future: Building the Foundation for Computational Physical Chemistry and Biophysics in 2050.ACS physical chemistry Au · 2024Review
- Advanced computational approaches to understand protein aggregation.Biophysics reviews · 2024Review
- Self-replication of AProceedings of the National Academy of Sciences of the United States of America · 2024Article
- Role of non-specific interactions in the phase-separation and maturation of macromolecules.PLoS computational biology · 2022Article
- Computational Models for the Study of Protein Aggregation.Methods in molecular biology (Clifton, N.J.) · 2022Article
- Size of the protein-protein energy funnel in crowded environment.Frontiers in molecular biosciences · 2022Article
- Enhanced translocation of amphiphilic peptides across membranes by transmembrane proteins.Biophysical journal · 2021Article
- Effect of Surface Roughness on Aggregation of Polypeptide Chains: A Monte Carlo Study.Biomolecules · 2021Article
- Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer's Disease, Parkinson's Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis.Chemical reviews · 2021Review
- Article
- Stimulus-responsive self-assembly of protein-based fractals by computational design.Nature chemistry · 2019Article
- Optimal Hydrophobicity and Reorientation of Amphiphilic Peptides Translocating through Membrane.Biophysical journal · 2018Article
- Synergism of Antimicrobial Frog Peptides Couples to Membrane Intrinsic Curvature Strain.Biophysical journal · 2018Article
- Beyond icosahedral symmetry in packings of proteins in spherical shells.Proceedings of the National Academy of Sciences of the United States of America · 2017Article
- Physical determinants of the self-replication of protein fibrils.Nature physics · 2016Article
- Challenges in structural approaches to cell modeling.Journal of molecular biology · 2016Review
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Proteins can aggregate in a wide variety of structures, both compact and extended. We present simulations of a coarse-grained anisotropic model that reproduce many of the experimentally observed aggregate structures. Conversely, all structures predicted by our model have experimental counterparts (ribbons, multistranded fibrils, and vesicles). The model we use is that of a rodlike particle with an attractive (hydrophobic) stripe on its side. Our Monte Carlo simulations show that aggregate morphologies crucially depend on two parameters. The first one is the width of the attractive stripe and the second one is a presence or absence of attractive interactions at the particle ends. These results provide us with a generic insight into the relation between the shape of protein-protein interaction potential and the morphology of protein aggregates.
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Registered trials
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