help button home button Biophys. J.
HOME HELP FEEDBACK SUBSCRIPTIONS ARCHIVE SEARCH TABLE OF CONTENTS
This Article
Right arrow Full Text
Right arrow Full Text (PDF)
Right arrow Alert me when this article is cited
Right arrow Alert me if a correction is posted
Services
Right arrow Similar articles in this journal
Right arrow Similar articles in PubMed
Right arrow Alert me to new issues of the journal
Right arrow Download to citation manager
Right arrow reprints & permissions
Citing Articles
Right arrow Citing Articles via HighWire
Right arrow Citing Articles via Google Scholar
Google Scholar
Right arrow Articles by Hofsäß, C.
Right arrow Articles by Edholm, O.
Right arrow Search for Related Content
PubMed
Right arrow PubMed Citation
Right arrow Articles by Hofsäß, C.
Right arrow Articles by Edholm, O.
Biophysical Journal 84:2192-2206 (2003)
© 2003 The Biophysical Society

Molecular Dynamics Simulations of Phospholipid Bilayers with Cholesterol

Christofer Hofsäß, Erik Lindahl and Olle Edholm

Theoretical Biophysics, Royal Institute of Technology, Stockholm Center for Physics, Astronomy and Biotechnology, SE-106 91 Stockholm, Sweden

Correspondence: Address reprint requests to Olle Edholm, Theoretical Biophysics, Royal Institute of Technology, Stockholm Center for Physics, Astronomy and Biotechnology, SE-106 91 Stockholm, Sweden. Tel.: 46-8-55378168; Fax: 46-8-55378470; E-mail: oed{at}theophys.kth.se.

To investigate the microscopic interactions between cholesterol and lipids in biological membranes, we have performed a series of molecular dynamics simulations of large membranes with different levels of cholesterol content. The simulations extend to 10 ns, and were performed with hydrated dipalmitoylphosphatidylcholine (DPPC) bilayers. The bilayers contain 1024 lipids of which 0–40% were cholesterol and the rest DPPC. The effects of cholesterol on the structure and mesoscopic dynamics of the bilayer were monitored as a function of cholesterol concentration. The main effects observed are a significant ordering of the DPPC chains (as monitored by NMR type order parameters), a reduced fraction of gauche bonds, a reduced surface area per lipid, less undulations—corresponding to an increased bending modulus for the membrane, smaller area fluctuations, and a reduced lateral diffusion of DPPC-lipids as well as cholesterols.




This article has been cited by other articles:


Home page
 Biophys. JHome page
T. Rog, M. Pasenkiewicz-Gierula, I. Vattulainen, and M. Karttunen
What Happens if Cholesterol Is Made Smoother:: Importance of Methyl Substituents in Cholesterol Ring Structure on Phosphatidylcholine-Sterol Interaction
Biophys. J., May 15, 2007; 92(10): 3346 - 3357.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
W. Zhao, T. Rog, A. A. Gurtovenko, I. Vattulainen, and M. Karttunen
Atomic-Scale Structure and Electrostatics of Anionic Palmitoyloleoylphosphatidylglycerol Lipid Bilayers with Na+ Counterions
Biophys. J., February 15, 2007; 92(4): 1114 - 1124.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
S. Y. Bhide, Z. Zhang, and M. L. Berkowitz
Molecular Dynamics Simulations of SOPS and Sphingomyelin Bilayers Containing Cholesterol
Biophys. J., February 15, 2007; 92(4): 1284 - 1295.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
A. C. V. Johansson and E. Lindahl
Amino-Acid Solvation Structure in Transmembrane Helices from Molecular Dynamics Simulations
Biophys. J., December 15, 2006; 91(12): 4450 - 4463.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
T. Rog and M. Pasenkiewicz-Gierula
Cholesterol-Sphingomyelin Interactions: A Molecular Dynamics Simulation Study
Biophys. J., November 15, 2006; 91(10): 3756 - 3767.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
T. Starke-Peterkovic, N. Turner, M. F. Vitha, M. P. Waller, D. E. Hibbs, and R. J. Clarke
Cholesterol Effect on the Dipole Potential of Lipid Membranes
Biophys. J., June 1, 2006; 90(11): 4060 - 4070.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
B. L. Stottrup and S. L. Keller
Phase Behavior of Lipid Monolayers Containing DPPC and Cholesterol Analogs
Biophys. J., May 1, 2006; 90(9): 3176 - 3183.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
J. Czub and M. Baginski
Comparative Molecular Dynamics Study of Lipid Membranes Containing Cholesterol and Ergosterol
Biophys. J., April 1, 2006; 90(7): 2368 - 2382.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
M. Heikela, I. Vattulainen, and M. T. Hyvonen
Atomistic Simulation Studies of Cholesteryl Oleates: Model for the Core of Lipoprotein Particles
Biophys. J., April 1, 2006; 90(7): 2247 - 2257.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
J. Henriksen, A. C. Rowat, E. Brief, Y. W. Hsueh, J. L. Thewalt, M. J. Zuckermann, and J. H. Ipsen
Universal Behavior of Membranes with Sterols
Biophys. J., March 1, 2006; 90(5): 1639 - 1649.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
O. Edholm and J. F. Nagle
Areas of Molecules in Membranes Consisting of Mixtures
Biophys. J., September 1, 2005; 89(3): 1827 - 1832.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
P. F. F. Almeida, W. L. C. Vaz, and T. E. Thompson
Lipid Diffusion, Free Area, and Molecular Dynamics Simulations
Biophys. J., June 1, 2005; 88(6): 4434 - 4438.
[Full Text] [PDF]

Home page
 Biophys. JHome page
J. Repakova, J. M. Holopainen, M. R. Morrow, M. C. McDonald, P. Capkova, and I. Vattulainen
Influence of DPH on the Structure and Dynamics of a DPPC Bilayer
Biophys. J., May 1, 2005; 88(5): 3398 - 3410.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
M. F. Hildenbrand and T. M. Bayerl
Differences in the Modulation of Collective Membrane Motions by Ergosterol, Lanosterol, and Cholesterol: A Dynamic Light Scattering Study
Biophys. J., May 1, 2005; 88(5): 3360 - 3367.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
V. Pata and N. Dan
Effect of Membrane Characteristics on Phase Separation and Domain Formation in Cholesterol-Lipid Mixtures
Biophys. J., February 1, 2005; 88(2): 916 - 924.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
S. A. Pandit, E. Jakobsson, and H. L. Scott
Simulation of the Early Stages of Nano-Domain Formation in Mixed Bilayers of Sphingomyelin, Cholesterol, and Dioleylphosphatidylcholine
Biophys. J., November 1, 2004; 87(5): 3312 - 3322.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
G. S. Ayton and G. A. Voth
Mesoscopic Lateral Diffusion in Lipid Bilayers
Biophys. J., November 1, 2004; 87(5): 3299 - 3311.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
J. L. McWhirter, G. Ayton, and G. A. Voth
Coupling Field Theory with Mesoscopic Dynamical Simulations of Multicomponent Lipid Bilayers
Biophys. J., November 1, 2004; 87(5): 3242 - 3263.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
E. Falck, M. Patra, M. Karttunen, M. T. Hyvonen, and I. Vattulainen
Lessons of Slicing Membranes: Interplay of Packing, Free Area, and Lateral Diffusion in Phospholipid/Cholesterol Bilayers
Biophys. J., August 1, 2004; 87(2): 1076 - 1091.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
S. A. Pandit, S. Vasudevan, S. W. Chiu, R. J. Mashl, E. Jakobsson, and H. L. Scott
Sphingomyelin-Cholesterol Domains in Phospholipid Membranes: Atomistic Simulation
Biophys. J., August 1, 2004; 87(2): 1092 - 1100.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
A. A. Gurtovenko, M. Patra, M. Karttunen, and I. Vattulainen
Cationic DMPC/DMTAP Lipid Bilayers: Molecular Dynamics Study
Biophys. J., June 1, 2004; 86(6): 3461 - 3472.
[Abstract] [Full Text] [PDF]

Home page
 Biophys. JHome page
S. A. Pandit, D. Bostick, and M. L. Berkowitz
Complexation of Phosphatidylcholine Lipids with Cholesterol
Biophys. J., March 1, 2004; 86(3): 1345 - 1356.
[Abstract] [Full Text] [PDF]


HOME HELP FEEDBACK SUBSCRIPTIONS ARCHIVE SEARCH TABLE OF CONTENTS
Copyright © 2003 by the Biophysical Society.