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Results: 1 to 20 of 103

1.

Dynamical motions of lipids and a finite size effect in simulations of bilayers.

Klauda JB, Brooks BR, Pastor RW.

J Chem Phys. 2006 Oct 14;125(14):144710.

PMID:
17042634
[PubMed - indexed for MEDLINE]
Free PMC Article
2.

Molecular dynamics simulations of lipid bilayers: major artifacts due to truncating electrostatic interactions.

Patra M, Karttunen M, Hyvönen MT, Falck E, Lindqvist P, Vattulainen I.

Biophys J. 2003 Jun;84(6):3636-45.

PMID:
12770872
[PubMed - indexed for MEDLINE]
Free PMC Article
3.
4.

Combined Monte Carlo and molecular dynamics simulation of hydrated 18:0 sphingomyelin-cholesterol lipid bilayers.

Khelashvili GA, Scott HL.

J Chem Phys. 2004 May 22;120(20):9841-7.

PMID:
15268001
[PubMed - indexed for MEDLINE]
5.

Molecular dynamics simulations of lipid membranes with lateral force: rupture and dynamic properties.

Xie JY, Ding GH, Karttunen M.

Biochim Biophys Acta. 2014 Mar;1838(3):994-1002. doi: 10.1016/j.bbamem.2013.12.011. Epub 2013 Dec 27.

PMID:
24374317
[PubMed - indexed for MEDLINE]
6.

Rotation of lipids in membranes: molecular dynamics simulation, 31P spin-lattice relaxation, and rigid-body dynamics.

Klauda JB, Roberts MF, Redfield AG, Brooks BR, Pastor RW.

Biophys J. 2008 Apr 15;94(8):3074-83. doi: 10.1529/biophysj.107.121806. Epub 2008 Jan 11.

PMID:
18192349
[PubMed - indexed for MEDLINE]
Free PMC Article
7.

Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations.

Lindahl E, Edholm O.

Biophys J. 2000 Jul;79(1):426-33.

PMID:
10866968
[PubMed - indexed for MEDLINE]
Free PMC Article
8.

Structural, dynamic, and electrostatic properties of fully hydrated DMPC bilayers from molecular dynamics simulations accelerated with graphical processing units (GPUs).

Ganesan N, Bauer BA, Lucas TR, Patel S, Taufer M.

J Comput Chem. 2011 Nov 15;32(14):2958-73. doi: 10.1002/jcc.21871. Epub 2011 Jul 26.

PMID:
21793003
[PubMed - indexed for MEDLINE]
Free PMC Article
9.

Role of lipid charge in organization of water/lipid bilayer interface: insights via computer simulations.

Polyansky AA, Volynsky PE, Nolde DE, Arseniev AS, Efremov RG.

J Phys Chem B. 2005 Aug 11;109(31):15052-9.

PMID:
16852905
[PubMed - indexed for MEDLINE]
10.

Dynamical properties of phospholipid bilayers from computer simulation.

Essmann U, Berkowitz ML.

Biophys J. 1999 Apr;76(4):2081-9.

PMID:
10096903
[PubMed - indexed for MEDLINE]
Free PMC Article
11.

A computer simulation study of the relation between lipid and probe behaviour in bilayer systems.

van der Heide UA, Levine YK.

Biochim Biophys Acta. 1994 Oct 12;1195(1):1-10.

PMID:
7918549
[PubMed - indexed for MEDLINE]
12.

Improved dissipative particle dynamics simulations of lipid bilayers.

Gao L, Shillcock J, Lipowsky R.

J Chem Phys. 2007 Jan 7;126(1):015101.

PMID:
17212519
[PubMed - indexed for MEDLINE]
13.

Methodological problems in pressure profile calculations for lipid bilayers.

Sonne J, Hansen FY, Peters GH.

J Chem Phys. 2005 Mar 22;122(12):124903.

PMID:
15836420
[PubMed - indexed for MEDLINE]
14.

Reparameterization of all-atom dipalmitoylphosphatidylcholine lipid parameters enables simulation of fluid bilayers at zero tension.

Sonne J, Jensen MØ, Hansen FY, Hemmingsen L, Peters GH.

Biophys J. 2007 Jun 15;92(12):4157-67. Epub 2007 Mar 30.

PMID:
17400696
[PubMed - indexed for MEDLINE]
Free PMC Article
15.

Multiscale modeling of lipids and lipid bilayers.

Lyubartsev AP.

Eur Biophys J. 2005 Dec;35(1):53-61. Epub 2005 Aug 31.

PMID:
16133633
[PubMed - indexed for MEDLINE]
16.

Combined Monte Carlo and molecular dynamics simulation of hydrated lipid-cholesterol lipid bilayers at low cholesterol concentration.

Chiu SW, Jakobsson E, Scott HL.

Biophys J. 2001 Mar;80(3):1104-14.

PMID:
11222276
[PubMed - indexed for MEDLINE]
Free PMC Article
17.

Polyunsaturation in lipid membranes: dynamic properties and lateral pressure profiles.

Ollila S, Hyvönen MT, Vattulainen I.

J Phys Chem B. 2007 Mar 29;111(12):3139-50. Epub 2007 Mar 3.

PMID:
17388448
[PubMed - indexed for MEDLINE]
18.

Force field dependence of phospholipid headgroup and acyl chain properties: comparative molecular dynamics simulations of DMPC bilayers.

Prakash P, Sankararamakrishnan R.

J Comput Chem. 2010 Jan 30;31(2):266-77. doi: 10.1002/jcc.21313.

PMID:
19475632
[PubMed - indexed for MEDLINE]
19.
20.

Long-range Lennard-Jones and electrostatic interactions in interfaces: application of the isotropic periodic sum method.

Klauda JB, Wu X, Pastor RW, Brooks BR.

J Phys Chem B. 2007 May 3;111(17):4393-400. Epub 2007 Apr 11.

PMID:
17425357
[PubMed - indexed for MEDLINE]

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