ArticleNew journal of physics2010
Systematic implicit solvent coarse-graining of bilayer membranes: lipid and phase transferability of the force field.
Article in New journal of physics, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed.
- SMARTINI3 parametrization of multi-scale membrane models via unsupervised learning methods.Scientific reports · 2024Article
- Coarse-Grained Molecular Dynamics of pH-Sensitive Lipids.International journal of molecular sciences · 2023Article
- The role of size and nature in nanoparticle binding to a model lung membrane: an atomistic study.Nanoscale advances · 2021Article
- Structural behavior of amphiphilic polyion complexes interacting with saturated lipid membranes investigated by coarse-grained molecular dynamic simulations.RSC advances · 2020Article
- Implicit-solvent dissipative particle dynamics force field based on a four-to-one coarse-grained mapping scheme.PloS one · 2018Article
- Effect of Cholesterol on the Structure of a Five-Component Mitochondria-Like Phospholipid Membrane.Membranes · 2015Article
- Enhanced Sampling of Coarse-Grained Transmembrane-Peptide Structure Formation from Hydrogen-Bond Replica Exchange.The Journal of membrane biology · 2015Article
- Transferring the PRIMO Coarse-Grained Force Field to the Membrane Environment: Simulations of Membrane Proteins and Helix-Helix Association.Journal of chemical theory and computation · 2014Article
- More than the sum of its parts: coarse-grained peptide-lipid interactions from a simple cross-parametrization.The Journal of chemical physics · 2014Article
- Molecular dynamics simulations of DPPC bilayers using "LIME", a new coarse-grained model.The journal of physical chemistry. B · 2013Article
- Determining the Gaussian curvature modulus of lipid membranes in simulations.Biophysical journal · 2012Article
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Authors and funding
2 authors.
Funding
Abstract
We study the lipid and phase transferability of our recently developed systematically coarse-grained solvent-free membrane model. The force field was explicitly parameterized to describe a fluid 1-palmitoyl-2-oleoyl-phosphatidylcholine (POPC) bilayer at 310 K with correct structure and area per lipid, while gaining at least three orders of magnitude in computational efficiency (see Wang and Deserno 2010 J. Phys. Chem. B 114 11207-20). Here, we show that exchanging CG tails, without any subsequent re-parameterization, creates reliable models of 1,2-dioleoylphosphatidylcholine (DOPC) and 1,2-dipalmitoylphosphatidylcholine (DPPC) lipids in terms of structure and area per lipid. Furthermore, all CG lipids undergo a liquid-gel transition upon cooling, with characteristics like those observed in experiments and all-atom simulations during phase transformation. These studies suggest a promising transferability of our force field parameters to different lipid species and thermodynamic state points, properties that are a prerequisite for even more complex systems, such as mixtures.
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