Implicit-solvent mesoscale model based on soft-core potentials for self-assembled lipid membranes

The Journal of Chemical Physics
Joel D RevaleeP B Sunil Kumar

Abstract

An efficient implicit-solvent model for self-assembled lipid bilayers is presented and analyzed using Langevin molecular dynamics simulations. The model is based on soft interactions between particles and short-range attractive interaction between lipid tails, leading for the self-assembly of a lipid bilayer without an explicit solvent. This allows for efficient simulations of large membranes over long times. The model exhibits a fluid phase at high temperatures and a gel phase at low temperatures, identified with the Lbeta-phase. The melting transition is investigated via analysis of the diffusivity of the lipid molecules, the chain-orientational order parameter, the sixfold bond-orientational order parameter, and the positional and bond-orientational correlation functions. The analysis suggests the existence of a hexatic phase over a narrow range of temperatures around the melting transition. The elastic properties of the membrane in the fluid phase are also investigated.

References

Nov 1, 1973·Zeitschrift Für Naturforschung. Teil C: Biochemie, Biophysik, Biologie, Virologie·W Helfrich
Nov 25, 1997·Biophysical Journal·T Sintes, A Baumgärtner
Jul 17, 1998·Biochimica Et Biophysica Acta·R Koynova, M Caffrey
May 1, 1986·Physical Review A: General Physics·G S Grest, K Kremer
Jun 1, 1994·Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics·L MiaoH G Döbereiner
May 10, 1993·Physical Review Letters·F Jülicher, R Lipowsky
Jun 3, 1996·Physical Review Letters·T Taniguchi
Oct 25, 2000·Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics·Y JiangA Saxena
May 1, 2001·Physical Review Letters·P B Sunil KumarR Lipowsky
Nov 3, 2001·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·H Noguchi, M Takasu
Mar 28, 2002·Biophysical Journal·Ranjan MukhopadhyayMichael Wortis
Apr 24, 2002·Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics·P B Sunil KumarR Lipowsky
Apr 2, 2003·Biophysical Journal·Christofer HofsässOlle Edholm
Aug 5, 2004·The Journal of Chemical Physics·Grace BranniganFrank L H Brown
Dec 17, 2004·Physical Review Letters·Mohamed Laradji, P B Sunil Kumar
Mar 22, 2005·Biophysical Journal·Elizabeth J WallacePeter D Olmsted
Apr 6, 2005·Proceedings of the National Academy of Sciences of the United States of America·Alex H de VriesSiewert J Marrink
Jul 13, 2005·The Journal of Chemical Physics·Zun-Jing Wang, Daan Frenkel
Jul 23, 2005·The Journal of Chemical Physics·G IllyaJ C Shillcock
Aug 11, 2005·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Ira R CookeMarkus Deserno
Aug 11, 2005·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·J L HardenP D Olmsted
Aug 11, 2005·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Grace BranniganFrank L H Brown
Sep 28, 2005·European Biophysics Journal : EBJ·Grace BranniganFrank L H Brown
Oct 26, 2005·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Marieke KranenburgBerend Smit
Oct 29, 2005·The Journal of Chemical Physics·Zun-Jing Wang, Daan Frenkel
Dec 27, 2005·The Journal of Chemical Physics·Mohamed Laradji, P B Sunil Kumar
Mar 15, 2006·Biophysical Journal·Sukit Leekumjorn, Amadeu K Sum
May 23, 2006·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Mohamed Laradji, P B Sunil Kumar
Jul 21, 2006·The Journal of Physical Chemistry. B·Marieke Kranenburg, Berend Smit
Feb 27, 2007·PLoS Computational Biology·Perttu S NiemeläIlpo Vattulainen
Mar 16, 2007·Physical Review Letters·Olaf Lenz, Friederike Schmid

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Citations

Nov 26, 2008·The Journal of Chemical Physics·Jonathan R Davis, Athanassios Z Panagiotopoulos
Aug 12, 2014·The Journal of Chemical Physics·Md Kabir Uddin SikderMohamed Laradji
Feb 2, 2016·The Journal of Chemical Physics·Eric J SpanglerMohamed Laradji
Nov 18, 2008·Biochimica Et Biophysica Acta·Siewert J MarrinkD Peter Tieleman
Jan 19, 2016·Faraday Discussions·Alexander D OlingerMohamed Laradji
Jun 2, 2018·Soft Matter·Eric J SpanglerMohamed Laradji
Apr 24, 2017·The Journal of Chemical Physics·Asma PoursoroushMohamed Laradji
Feb 3, 2018·The Journal of Chemical Physics·Mohsen SadeghiFrank Noé
Mar 22, 2014·Soft Matter·Antti Lamberg, Takashi Taniguchi
Mar 17, 2020·The Journal of Chemical Physics·Eric J Spangler, Mohamed Laradji
Dec 21, 2011·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Eric J SpanglerMohamed Laradji
Dec 3, 2020·The Journal of Chemical Physics·Diego Ugarte La Torre, Shoji Takada
Apr 7, 2010·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Zhenyu ShiMark Alber
Sep 17, 2013·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Yaohong WangPaul J Atzberger
Sep 28, 2010·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Hongyan YuanSulin Zhang
Jul 10, 2021·The Journal of Chemical Physics·Eric J Spangler, Mohamed Laradji
Jul 9, 2010·Langmuir : the ACS Journal of Surfaces and Colloids·Chen ZhengYong-Wei Zhang

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