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Items: 1 to 20 of 357

1.

Molecular dynamics simulation study of the effect of DMSO on structural and permeation properties of DMPC lipid bilayers.

Lin J, Novak B, Moldovan D.

J Phys Chem B. 2012 Feb 2;116(4):1299-308. doi: 10.1021/jp208145b. Epub 2012 Jan 18.

PMID:
22191390
2.

A molecular dynamics study of DMPC lipid bilayers interacting with dimethylsulfoxide-water mixtures.

Pinisetty D, Alapati R, Devireddy RV.

J Membr Biol. 2012 Dec;245(12):807-14. doi: 10.1007/s00232-012-9483-x. Epub 2012 Jul 27.

PMID:
22836671
3.

Molecular dynamics simulations of local anesthetic articaine in a lipid bilayer.

Mojumdar EH, Lyubartsev AP.

Biophys Chem. 2010 Dec;153(1):27-35. doi: 10.1016/j.bpc.2010.10.001. Epub 2010 Oct 12.

PMID:
21041015
4.

A molecular-dynamics study of lipid bilayers: effects of the hydrocarbon chain length on permeability.

Sugii T, Takagi S, Matsumoto Y.

J Chem Phys. 2005 Nov 8;123(18):184714.

PMID:
16292928
5.

Cholesterol effect on water permeability through DPPC and PSM lipid bilayers: a molecular dynamics study.

Saito H, Shinoda W.

J Phys Chem B. 2011 Dec 29;115(51):15241-50. doi: 10.1021/jp201611p. Epub 2011 Dec 1.

PMID:
22081997
7.

Effect of cholesterol on behavior of 5-fluorouracil (5-FU) in a DMPC lipid bilayer, a molecular dynamics study.

Khajeh A, Modarress H.

Biophys Chem. 2014 Mar-Apr;187-188:43-50. doi: 10.1016/j.bpc.2014.01.004. Epub 2014 Feb 3.

PMID:
24583772
8.

Diffusion of 1,2-dimethoxyethane and 1,2-dimethoxypropane through phosphatidycholine bilayers: a molecular dynamics study.

Samanta S, Hezaveh S, Milano G, Roccatano D.

J Phys Chem B. 2012 May 3;116(17):5141-51. doi: 10.1021/jp211564x. Epub 2012 Mar 22. Erratum in: J Phys Chem B. 2012 Aug 2;116(30):9286.

PMID:
22409229
9.

Effect of acetone accumulation on structure and dynamics of lipid membranes studied by molecular dynamics simulations.

Posokhov YO, Kyrychenko A.

Comput Biol Chem. 2013 Oct;46:23-31. doi: 10.1016/j.compbiolchem.2013.04.005. Epub 2013 May 7.

PMID:
23764528
10.

Molecular dynamics simulations of the interactions of DMSO with DPPC and DOPC phospholipid membranes.

Hughes ZE, Mark AE, Mancera RL.

J Phys Chem B. 2012 Oct 4;116(39):11911-23. doi: 10.1021/jp3035538. Epub 2012 Sep 20.

PMID:
22947053
11.

Free energetics and the role of water in the permeation of methyl guanidinium across the bilayer-water interface: insights from molecular dynamics simulations using charge equilibration potentials.

Ou S, Lucas TR, Zhong Y, Bauer BA, Hu Y, Patel S.

J Phys Chem B. 2013 Apr 4;117(13):3578-92. doi: 10.1021/jp400389z. Epub 2013 Mar 26.

PMID:
23409975
12.

Effects of dimethyl sulfoxide in cholesterol-containing lipid membranes: a comparative study of experiments in silico and with cells.

de Ménorval MA, Mir LM, Fernández ML, Reigada R.

PLoS One. 2012;7(7):e41733. doi: 10.1371/journal.pone.0041733. Epub 2012 Jul 25.

13.

Stretching effects on the permeability of water molecules across a lipid bilayer.

Gauthier A, Joós B.

J Chem Phys. 2007 Sep 14;127(10):105104.

PMID:
17867783
14.

Diffusion of water and selected atoms in DMPC lipid bilayer membranes.

Hansen FY, Peters GH, Taub H, Miskowiec A.

J Chem Phys. 2012 Nov 28;137(20):204910. doi: 10.1063/1.4767568.

PMID:
23206034
15.

Anomalous diffusion of water molecules in hydrated lipid bilayers.

Das J, Flenner E, Kosztin I.

J Chem Phys. 2013 Aug 14;139(6):065102. doi: 10.1063/1.4817322.

PMID:
23947892
16.

Diffusion and spectroscopy of water and lipids in fully hydrated dimyristoylphosphatidylcholine bilayer membranes.

Yang J, Calero C, Martí J.

J Chem Phys. 2014 Mar 14;140(10):104901. doi: 10.1063/1.4867385.

PMID:
24628199
17.
18.

Modulating the structure and properties of cell membranes: the molecular mechanism of action of dimethyl sulfoxide.

Gurtovenko AA, Anwar J.

J Phys Chem B. 2007 Sep 6;111(35):10453-60. Epub 2007 Jul 28.

PMID:
17661513
19.

The influence of cholesterol on interactions and dynamics of ibuprofen in a lipid bilayer.

Khajeh A, Modarress H.

Biochim Biophys Acta. 2014 Oct;1838(10):2431-8. doi: 10.1016/j.bbamem.2014.05.029. Epub 2014 Jun 6.

20.

Molecular dynamics simulation of a hydrated phospholipid bilayer.

Essex JW, Hann MM, Richards WG.

Philos Trans R Soc Lond B Biol Sci. 1994 May 28;344(1309):239-60.

PMID:
7938199

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