ArticleBiophysical journal2021
Protein-induced membrane curvature in coarse-grained simulations.
Article in Biophysical journal, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed, 24 citations in OpenAlex.
- Photoreceptor outer segment disk rim curvature relies on a tetraspanin interaction web.The Journal of biological chemistry · 2026Article
- Photoreceptor outer segment disk rim curvature relies on a tetraspanin interaction web.bioRxiv : the preprint server for biology · 2026Article
- Bridging Scales: Coarse-Grained Protein Models in Computational Biology.Advances in experimental medicine and biology · 2026Review
- A tutorial for mesoscale computer simulations of lipid membranes: tether pulling, tubulation and fluctuations.Soft matter · 2025Review
- Article
- Making the cut: Multiscale simulation of membrane remodeling.Current opinion in structural biology · 2024Review
- Membranes get in shape: Biophysics of curving bilayers.Biophysical journal · 2024Article
- Amphipathic Helices Can Sense Both Positive and Negative Curvatures of Lipid Membranes.The journal of physical chemistry letters · 2024Article
- Molecular mechanism of GTP binding- and dimerization-induced enhancement of Sar1-mediated membrane remodeling.Proceedings of the National Academy of Sciences of the United States of America · 2023Article
- Magainin 2 and PGLa in bacterial membrane mimics IV: Membrane curvature and partitioning.Biophysical journal · 2022Article
- Molecular Dynamics Simulations of Curved Lipid Membranes.International journal of molecular sciences · 2022Review
- Coacervation of poly-electrolytes in the presence of lipid bilayers: mutual alteration of structure and morphology.Chemical science · 2022Article
- Cholesterol-Mediated Clustering of the HIV Fusion Protein gp41 in Lipid Bilayers.Journal of molecular biology · 2022Article
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Authors and funding
4 authors at 2 institutions in 2 countries.
Funding
Abstract
Using the endosomal sorting complex required for transport (ESCRT)-III membrane remodeling complex as an example, we analyze three popular coarse-grained models (the regular MARTINI, polarizable MARTINI (POL-MARTINI), and big multipole water MARTINI (BMW-MARTINI)) for the description of membrane curvature sensing and generation activities of peripheral proteins. Although the three variants of the MARTINI model provide consistent descriptions for the protein-protein interface in a linear filament model of ESCRT-III, they differ considerably in terms of protein-membrane interface and therefore membrane curvature sensing and generation behaviors. In particular, BMW-MARTINI provides the most consistent description of the protein-membrane interface as compared to all-atom simulations, whereas the regular MARTINI is most consistent with atomistic simulations in terms of the qualitative sign of membrane curvature sensing and generation. With POL-MARTINI, the ESCRT-III model interacts weakly with the membrane and therefore does not exhibit any curvature-sensitive activities. Analysis suggests that the incorrect membrane curvature activities predicted by BMW-MARTINI are due to overestimated insertion depth of an amphipathic helix and incorrect sign for the spontaneous curvature of anionic lipids. These results not only point to ways that coarse-grained models can be improved but also explicitly highlight local lipid composition and insertion depth of protein motifs as essential regulatory factors for membrane curvature sensing and generation.
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