ArticleNature communications2020
Large-scale simulation of biomembranes incorporating realistic kinetics into coarse-grained models.
Article in Nature communications, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed, 56 citations in OpenAlex.
- Bayesian Optimization for High-Dimensional Coarse-Grained Model Parameterization: A Case Study on Pebax Polymer.Journal of chemical theory and computation · 2026Article
- Bimodal Mechanical Response of Membrane Necks: Implications for the Nuclear Envelope.ACS nano · 2026Article
- Dynamic nanoscale architecture of synaptic vesicle fusion in mouse hippocampal neurons.Nature communications · 2025Article
- A tutorial for mesoscale computer simulations of lipid membranes: tether pulling, tubulation and fluctuations.Soft matter · 2025Review
- All-Atom Simulations Reveal the Effect of Membrane Composition on the Signaling of the NKG2A/CD94/HLA-E Immune Receptor Complex.Journal of chemical information and modeling · 2024Article
- SMARTINI3 parametrization of multi-scale membrane models via unsupervised learning methods.Scientific reports · 2024Article
- Multiscale modelling of transport in polymer-based reverse-osmosis/nanofiltration membranes: present and future.Discover nano · 2024Review
- Perspectives on Ligand/Protein Binding Kinetics Simulations: Force Fields, Machine Learning, Sampling, and User-Friendliness.Journal of chemical theory and computation · 2023Review
- Spatially resolved protein map of intact human cytomegalovirus virions.Nature microbiology · 2023Article
- Mesoscale simulations: An indispensable approach to understand biomembranes.Biophysical journal · 2023Review
- Modeling membrane reshaping driven by dynamic protein assemblies.Current opinion in structural biology · 2023Review
- Temporally Coherent Backmapping of Molecular Trajectories From Coarse-Grained to Atomistic Resolution.The journal of physical chemistry. A · 2022Article
- Systematic measurements of interleaflet friction in supported bilayers.Biophysical journal · 2022Article
- Physical mechanisms of ESCRT-III-driven cell division.Proceedings of the National Academy of Sciences of the United States of America · 2022Article
- Article
- Computational and Experimental Approaches to Investigate Lipid Nanoparticles as Drug and Gene Delivery Systems.Current topics in medicinal chemistry · 2021Review
- Quantitative Synaptic Biology: A Perspective on Techniques, Numbers and Expectations.International journal of molecular sciences · 2020Review
- Probing lipid membrane bending mechanics using gold nanorod tracking.Physical review researchArticle
Corrections and comments
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Biomembranes are two-dimensional assemblies of phospholipids that are only a few nanometres thick, but form micrometre-sized structures vital to cellular function. Explicit molecular modelling of biologically relevant membrane systems is computationally expensive due to the large number of solvent particles and slow membrane kinetics. Coarse-grained solvent-free membrane models offer efficient sampling but sacrifice realistic kinetics, thereby limiting the ability to predict pathways and mechanisms of membrane processes. Here, we present a framework for integrating coarse-grained membrane models with continuum-based hydrodynamics. This framework facilitates efficient simulation of large biomembrane systems with large timesteps, while achieving realistic equilibrium and non-equilibrium kinetics. It helps to bridge between the nanometer/nanosecond spatiotemporal resolutions of coarse-grained models and biologically relevant time- and lengthscales. As a demonstration, we investigate fluctuations of red blood cells, with varying cytoplasmic viscosities, in 150-milliseconds-long trajectories, and compare kinetic properties against single-cell experimental observations.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.