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A Coarse Grain Model for Phospholipid Simulations
Abstract
A coarse grain model for phospholipids was systematically parametrized to mimic structural properties obtained from an atomistic simulation of a dimyristoylphosphatidylcholine bilayer. The model semiquantitatively reproduces the cross-sectional structure of a preassembled phospholipid bilayer obtained from an atomistic simulation; a property that was not directly fit. The model is sufficiently fast to permit the simulation of the self-assembly of the bilayer starting from a random configuration.
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Cites
Lyubartsev, A. P., & Laaksonen, A. (1995) · Physical Review E · doi:10.1103/physreve.52.3730 · Cited by 852
Cited by
Coarse Grained Model for Semiquantitative Lipid Simulations
Marrink, S. J., de Vries, A. H., & Mark, A. E. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp036508g · Cited by 2,257
Perspective: Coarse-grained models for biomolecular systems
Noid, W. G. (2013) · The Journal of Chemical Physics · doi:10.1063/1.4818908 · Cited by 893
Versatile object-oriented toolkit for coarse-graining applications
Rühle, V., Junghans, C., Lukyanov, A., Kremer, K., & Andrienko, D. (2009) · Journal of Chemical Theory and Computation · doi:10.1021/ct900369w · Cited by 485
Coarse grain models and the computer simulation of soft materials
Nielsen, S. O., Lopez, C. F., Srinivas, G., & Klein, M. L. (2004) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/16/15/r03 · Cited by 423
Self-citationBiological and synthetic membranes: What can be learned from a coarse-grained description?
MULLER, M., KATSOV, K., & SCHICK, M. (2006) · Physics Reports · doi:10.1016/j.physrep.2006.08.003 · Cited by 320
Metadata
- Authors
- Shelley, J. C., Shelley, M. Y., Reeder, R. C., Bandyopadhyay, S., & Klein, M. L.
- Venue
- The Journal of Physical Chemistry B
- Publisher
- American Chemical Society (ACS)
- Published
- 2001-04-20
- Volume
- 105
- Issue
- 19
- Pages
- 4464-4470
- ISSN
- 1520-5207 (ISSN-L)
- 1520-6106
- OpenAlex
- W1969455492
- Cited by
- 509
- References
- 1
- FWCI
- 4.34
- Type
- journal article
- Language
- en
- Open access
- closed
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- Shelley, J. C., Shelley, M. Y., Reeder, R. C., Bandyopadhyay, S., & Klein, M. L. (2001). A Coarse Grain Model for Phospholipid Simulations. The Journal of Physical Chemistry B. https://doi.org/10.1021/jp010238p
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
