Physical properties of model biological lipid bilayers: insights from all-atom molecular dynamics simulations

Journal of Molecular Modeling
Ganesh ShahaneMario Orsi

Abstract

The physical properties of lipid bilayers are sensitive to the specific type and composition of the lipids that make up the many different types of cell membranes. Studying model bilayers of representative heterogeneous compositions can provide key insights into membrane functionality. In this work, we use atomistic molecular dynamics simulations to characterize key properties in a number of bilayer membranes of varying composition. We first examine basic properties, such as lipid area, volume, and bilayer thickness, of simple, homogeneous bilayers comprising several lipid types, which are prevalent in biological membranes. Such lipids are then used in simulations of heterogeneous systems representative of bacterial, mammalian, and cancer membranes. Our analysis is especially focused on depth-dependent, transmembrane profiles; in particular, we calculate lateral pressure and dipole potential profiles, two fundamental properties which play key roles in a large number of biological functions.

References

Jan 1, 1979·Annual Review of Biochemistry·J A Op den Kamp
Feb 25, 1977·Science·J E Rothman, J Lenard
Oct 19, 1978·Biochimica Et Biophysica Acta·T J McIntosh
Feb 20, 1973·Biochemical and Biophysical Research Communications·S E Gordesky, G V Marinetti
Jan 1, 1981·Journal of Supramolecular Structure and Cellular Biochemistry·D E Koppel
Feb 1, 1996·Journal of Molecular Graphics·W HumphreyK Schulten
Mar 26, 1998·Biochimica Et Biophysica Acta·D P TielemanH J Berendsen
May 8, 1999·Biophysical Journal·R S Cantor
Feb 24, 2001·Advances in Colloid and Interface Science·R J Clarke
Apr 2, 2003·Biophysical Journal·Christofer HofsässOlle Edholm
Apr 30, 2003·Biophysical Journal·Andrey FilippovGöran Lindblom
Nov 3, 2004·Biochimica Et Biophysica Acta·Els van den Brink-van der LaanBen de Kruijff
Nov 13, 2004·The Journal of Chemical Physics·Keiko ShinodaMasuhiro Mikami
Nov 13, 2004·American Journal of Physiology. Regulatory, Integrative and Comparative Physiology·Thomas Starke-PeterkovicRonald J Clarke
Nov 24, 2004·Biophysical Journal·Krzysztof MurzynMarta Pasenkiewicz-Gierula
May 11, 2005·European Biophysics Journal : EBJ·Avi Halperin, Ole G Mouritsen
Aug 11, 2005·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Sergei I Mukhin, Svetlana Baoukina
Oct 6, 2005·European Biophysics Journal : EBJ·Michael Patra
Oct 8, 2005·Journal of Computational Chemistry·David Van Der SpoelHerman J C Berendsen
Apr 11, 2006·The Journal of Membrane Biology·Norbert KucerkaJohn F Nagle
Jan 11, 2007·The Journal of Chemical Physics·Giovanni BussiMichele Parrinello
Mar 29, 2007·The Journal of Physical Chemistry. B·Samuli OllilaIlpo Vattulainen
Jul 11, 2007·The European Physical Journal. E, Soft Matter·N KucerkaJ Katsaras
Dec 15, 2007·Biochimica Et Biophysica Acta·David W Hoskin, Ayyalusamy Ramamoorthy
Dec 19, 2007·The Journal of Physical Chemistry. B·Mario OrsiJonathan W Essex
Jan 25, 2008·Nature Reviews. Molecular Cell Biology·Gerrit van MeerGerald W Feigenson
Mar 21, 2008·Journal of Computational Chemistry·Sunhwan JoWonpil Im
Apr 2, 2008·The Journal of Chemical Physics·Shirley W I SiuRainer A Böckmann
Jul 26, 2008·Physical Chemistry Chemical Physics : PCCP·R J EyreP R Briddon
Nov 11, 2008·Nature Biotechnology·Mark R Prausnitz, Robert Langer
Jan 10, 2009·European Biophysics Journal : EBJ·Thomas Starke-Peterkovic, Ronald J Clarke
Feb 20, 2009·Proceedings of the National Academy of Sciences of the United States of America·Frédérick de Meyer, Berend Smit
Mar 5, 2009·Physical Review Letters·O H Samuli OllilaSiewert J Marrink

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Citations

Aug 28, 2020·Frontiers in Cell and Developmental Biology·Madison BlumerW F Drew Bennett
Dec 18, 2020·Biophysical Journal·Amar VelicPrasad K D V Yarlagadda
Nov 20, 2020·The Journal of Membrane Biology·Ana-Nicoleta Bondar
Feb 26, 2021·Biophysical Journal·George KhelashviliHarel Weinstein
Mar 7, 2021·Journal of Controlled Release : Official Journal of the Controlled Release Society·Tommaso Casalini
Feb 25, 2021·Biophysical Chemistry·Thaís F SchmidtChristian Salesse
Feb 21, 2021·Advanced Drug Delivery Reviews·Pyae PhyoYongchao Su
Apr 5, 2021·Biochemical and Biophysical Research Communications·Keigo MurakamiKuniyuki Hatori
May 5, 2021·Communications Biology·Ritobrita ChakrabortyKrishnananda Chattopadhyay
Nov 7, 2020·Soft Matter·Sze May YeeChristian D Lorenz
Jul 24, 2021·The Journal of Physical Chemistry. B·Ruijie D Teo, D Peter Tieleman
Aug 3, 2021·Journal of Chemical Theory and Computation·Austin T WeigleDiwakar Shukla
Feb 6, 2020·ACS Applied Materials & Interfaces·Shuhao LiuMustafa Akbulut
Nov 4, 2020·ACS Central Science·Lorenzo CasalinoRommie E Amaro
Sep 29, 2021·Langmuir : the ACS Journal of Surfaces and Colloids·Valeria NeleMolly M Stevens
Dec 27, 2021·Biophysical Journal·Valeria LosassoMichael Hoptroff

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