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The Mechanism of Vesicle Fusion as Revealed by Molecular Dynamics Simulations
Open accessAbstract
We describe molecular dynamics simulations elucidating the molecular details of the process of fusion for small lipid vesicles. The simulations are based on a coarse grained (CG) lipid model that accurately represents the lamellar state of a variety of phospholipids and enables us to observe intermediate stages during fusion at near atomic detail. Simulations were conducted on a variety of systems containing common phospholipids such as phosphatidylcholine (PC), phosphatidylethanolamine (PE), lysoPC, and mixtures of the above. The fusion intermediates found are in general agreement with the stalk-pore mechanism. Transient pores sometimes form adjacent to the stalk, however, resulting in the mixing of lipids from the outer and inner monolayers. The speed of stalk formation and the opening of the fusion pore can be modulated by altering the lipid composition in qualitative agreement with experimental observations.
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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
Self-citationChernomordik, L. V., & Kozlov, M. M. (2008) · Nature Structural & Molecular Biology · doi:10.1038/nsmb.1455 · Cited by 1,037
Lipids on the move: Simulations of membrane pores, domains, stalks and curves
Marrink, S. J., de Vries, A. H., & Tieleman, D. P. (2009) · Biochimica et Biophysica Acta (BBA) - Biomembranes · doi:10.1016/j.bbamem.2008.10.006 · Cited by 440
Self-citationCoarse 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
Liposomal Delivery Systems: Design Optimization and Current Applications
Abu Lila, A. S., & Ishida, T. (2017) · Biological & Pharmaceutical Bulletin · doi:10.1248/bpb.b16-00624 · Cited by 382
Metadata
- Authors
- Marrink, S. J., & Mark, A. E.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2003-08-15
- Volume
- 125
- Issue
- 37
- Pages
- 11144-11145
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W1989144616
- Cited by
- 344
- References
- 0
- FWCI
- 3.86
- Type
- journal article
- Language
- en
- Open access
- green
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