ArticleThe journal of physical chemistry. B2009
Hybrid coarse-graining approach for lipid bilayers at large length and time scales.
Article in The journal of physical chemistry. B, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 28 papers.
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Who cites it
28 citing papers in PubMed.
- Computational Methods for Modeling Lipid-Mediated Active Pharmaceutical Ingredient Delivery.Molecular pharmaceutics · 2025Review
- Enhancing the Assembly Properties of Bottom-Up Coarse-Grained Phospholipids.Journal of chemical theory and computation · 2024Article
- Efficient calculation of orientation-dependent lipid dynamics from membrane simulations.bioRxiv : the preprint server for biology · 2024Article
- Coarse-grained molecular simulation of extracellular vesicle squeezing for drug loading.Physical chemistry chemical physics : PCCP · 2023Article
- M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific Domains.Molecular physics · 2023Article
- Computational Modeling of Realistic Cell Membranes.Chemical reviews · 2019Review
- Systematic Coarse-Grained Lipid Force Fields with Semiexplicit Solvation via Virtual Sites.Journal of chemical theory and computation · 2019Article
- A Multi-Scale Approach to Membrane Remodeling Processes.Frontiers in molecular biosciences · 2019Article
- Biophysics of membrane curvature remodeling at molecular and mesoscopic lengthscales.Journal of physics. Condensed matter : an Institute of Physics journal · 2018Article
- The mesoscopic membrane with proteins (MesM-P) model.The Journal of chemical physics · 2017Article
- Multiscale simulations of protein-facilitated membrane remodeling.Journal of structural biology · 2016Review
- Review
- Nothing to sneeze at: a dynamic and integrative computational model of an influenza A virion.Structure (London, England : 1993) · 2015Article
- Solvent-Free, Highly Coarse-Grained Models for Charged Lipid Systems.Journal of chemical theory and computation · 2014Article
- The power of coarse graining in biomolecular simulations.Wiley interdisciplinary reviews. Computational molecular science · 2014Article
- An Anisotropic Coarse-Grained Model for Proteins Based On Gay-Berne and Electric Multipole Potentials.Journal of chemical theory and computation · 2014Article
- Retinal conformation governs pKa of protonated Schiff base in rhodopsin activation.Journal of the American Chemical Society · 2013Article
- Understanding the role of amphipathic helices in N-BAR domain driven membrane remodeling.Biophysical journal · 2013Article
- A Hybrid Approach for Highly Coarse-grained Lipid Bilayer Models.Journal of chemical theory and computation · 2013Article
- Membrane binding and self-association of the epsin N-terminal homology domain.Journal of molecular biology · 2012Article
Corrections and comments
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2 authors.
Funding
Abstract
A hybrid analytic-systematic (HAS) coarse-grained (CG) lipid model is developed and employed in a large-scale simulation of a liposome. The methodology is termed hybrid analytic-systematic because one component of the interaction between CG sites is variationally determined from the multiscale coarse-graining (MS-CG) methodology, whereas the remaining component utilizes an analytic potential. The systematic component models the in-plane center-of-mass interaction of the lipids as determined from an atomistic-level MD simulation of a bilayer. The analytic component is based on the well-known Gay-Berne ellipsoid-of-revolution liquid-crystal model and is designed to model the highly anisotropic interactions at a highly coarse-grained level. The HAS CG approach is the first step in an "aggressive" CG methodology designed to model multicomponent biological membranes at very large length and time scales.
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