The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
A new force field for simulating phosphatidylcholine bilayers
Abstract
A new force field for the simulation of dipalmitoylphosphatidylcholine (DPPC) in the liquid‐crystalline, fluid phase at zero surface tension is presented. The structure of the bilayer with the area per lipid (0.629 nm 2; experiment 0.629–0.64 nm 2), the volume per lipid (1.226 nm 3; experiment 1.229–1.232 nm 3), and the ordering of the palmitoyl chains (order parameters) are all in very good agreement with experiment. Experimental electron density profiles are well reproduced in particular with regard to the penetration of water into the bilayer. The force field was further validated by simulating the spontaneous assembly of DPPC into a bilayer in water. Notably, the timescale on which membrane sealing was observed using this model appears closer to the timescales for membrane resealing suggested by electroporation experiments than previous simulations using existing models. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010
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Cites
INTERACTIONS BETWEEN NEUTRAL PHOSPHOLIPID BILAYER MEMBRANES
LIS, L. J., MCALISTER, M., FULLER, N., RAND, R. P., & PARSEGIAN, V. A. (1982) · Biophysical Journal · doi:10.1016/s0006-3495(21)00385-4 · Cited by 758
Nagle, J. F., Zhang, R., Tristram-Nagle, S., Sun, W., Petrache, H. I., & Suter, R. M. (1996) · Biophysical Journal · doi:10.1016/s0006-3495(96)79701-1 · Cited by 472
Membranes: A meeting point for lipids, proteins and therapies
Escribá, P. V., González‐Ros, J. M., Goñi, F. M., Kinnunen, P. K. J., Vigh, L., Sánchez‐Magraner, L., Fernández, A. M., Busquets, X., Horváth, I., & Barceló‐Coblijn, G. (2008) · Journal of Cellular and Molecular Medicine · doi:10.1111/j.1582-4934.2008.00281.x · Cited by 454
Cited by
A ring to rule them all: the effect of cyclopropane fatty acids on the fluidity of lipid bilayers
Poger, D., & Mark, A. E. (2015) · The Journal of Physical Chemistry B · doi:10.1021/acs.jpcb.5b00958 · Cited by 162
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Metadata
- Authors
- Poger, D., Van Gunsteren, W. F., & Mark, A. E.
- Venue
- Journal of Computational Chemistry
- Publisher
- Wiley
- Published
- 2009-10-13
- Volume
- 31
- Issue
- 6
- Pages
- 1117-1125
- ISSN
- 0192-8651 (ISSN-L)
- 1096-987X
- OpenAlex
- W2160947340
- Cited by
- 333
- References
- 3
- FWCI
- 5.40
- Type
- journal article
- Language
- en
- Open access
- closed
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