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Items: 1 to 20 of 101

1.

Training and Validation of a Liquid-Crystalline Phospholipid Bilayer Force Field.

McKiernan KA, Wang LP, Pande VS.

J Chem Theory Comput. 2016 Dec 13;12(12):5960-5967. Epub 2016 Nov 21.

PMID:
27786477
2.

DPPC-cholesterol phase diagram using coarse-grained Molecular Dynamics simulations.

Wang Y, Gkeka P, Fuchs JE, Liedl KR, Cournia Z.

Biochim Biophys Acta. 2016 Nov;1858(11):2846-2857. doi: 10.1016/j.bbamem.2016.08.005. Epub 2016 Aug 13.

3.

Dendritic amphiphiles strongly affect the biophysical properties of DPPC bilayer membranes.

Muckom RJ, Stanzione F, Gandour RD, Sum AK.

J Phys Chem B. 2013 Feb 14;117(6):1810-8. doi: 10.1021/jp310043a. Epub 2013 Feb 5.

PMID:
23330648
4.

A new force field for simulating phosphatidylcholine bilayers.

Poger D, Van Gunsteren WF, Mark AE.

J Comput Chem. 2010 Apr 30;31(6):1117-25. doi: 10.1002/jcc.21396.

PMID:
19827145
5.

A systematic molecular dynamics simulation study of temperature dependent bilayer structural properties.

Zhuang X, Makover JR, Im W, Klauda JB.

Biochim Biophys Acta. 2014 Oct;1838(10):2520-9. doi: 10.1016/j.bbamem.2014.06.010. Epub 2014 Jun 19.

6.

Understanding thermal phases in atomic detail by all-atom molecular-dynamics simulation of a phospholipid bilayer.

Ogata K, Uchida W, Nakamura S.

J Phys Chem B. 2014 Dec 11;118(49):14353-65. doi: 10.1021/jp504684h. Epub 2014 Nov 26.

PMID:
25383505
7.

Surface tension effects on the phase transition of a DPPC bilayer with and without protein: a molecular dynamics simulation.

Kong X, Qin S, Lu D, Liu Z.

Phys Chem Chem Phys. 2014 May 14;16(18):8434-40. doi: 10.1039/c3cp55524k.

PMID:
24668218
9.

Model of an asymmetric DPPC/DPPS membrane: effect of asymmetry on the lipid properties. A molecular dynamics simulation study.

López Cascales JJ, Otero TF, Smith BD, González C, Márquez M.

J Phys Chem B. 2006 Feb 9;110(5):2358-63.

PMID:
16471825
10.

Molecular dynamics simulations of lipid bilayers: simple recipe of how to do it.

Martinez-Seara H, Róg T.

Methods Mol Biol. 2013;924:407-29. doi: 10.1007/978-1-62703-017-5_15.

PMID:
23034757
11.

Interactions of liquid crystal-forming molecules with phospholipid bilayers studied by molecular dynamics simulations.

Kim EB, Lockwood N, Chopra M, Guzmán O, Abbott NL, de Pablo JJ.

Biophys J. 2005 Nov;89(5):3141-58. Epub 2005 Aug 19.

12.

Phase structures of binary lipid bilayers as revealed by permeability of small molecules.

Xiang TX, Anderson BD.

Biochim Biophys Acta. 1998 Mar 6;1370(1):64-76.

13.

Molecular dynamics simulations of DPPC bilayers using "LIME", a new coarse-grained model.

Curtis EM, Hall CK.

J Phys Chem B. 2013 May 2;117(17):5019-30. doi: 10.1021/jp309712b. Epub 2013 Apr 16.

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.

15.

A polarizable force field of dipalmitoylphosphatidylcholine based on the classical Drude model for molecular dynamics simulations of lipids.

Chowdhary J, Harder E, Lopes PE, Huang L, MacKerell AD Jr, Roux B.

J Phys Chem B. 2013 Aug 8;117(31):9142-60. doi: 10.1021/jp402860e. Epub 2013 Jul 30.

16.

Molecular dynamics simulations of Oxprenolol and Propranolol in a DPPC lipid bilayer.

Azizi K, Koli MG.

J Mol Graph Model. 2016 Mar;64:153-164. doi: 10.1016/j.jmgm.2016.01.009. Epub 2016 Jan 28.

PMID:
26851866
17.

MARTINI Coarse-Grained Model of Triton TX-100 in Pure DPPC Monolayer and Bilayer Interfaces.

Pizzirusso A, De Nicola A, Milano G.

J Phys Chem B. 2016 Apr 28;120(16):3821-32. doi: 10.1021/acs.jpcb.6b00646. Epub 2016 Apr 14.

PMID:
27042862
18.

Coarse-grained molecular dynamics study of permeability enhancement in DPPC bilayers by incorporation of lysolipid.

Winter ND, Schatz GC.

J Phys Chem B. 2010 Apr 22;114(15):5053-60. doi: 10.1021/jp911309s.

19.

Characterization of symmetric and asymmetric lipid bilayers composed of varying concentrations of ganglioside GM1 and DPPC.

Patel RY, Balaji PV.

J Phys Chem B. 2008 Mar 20;112(11):3346-56. doi: 10.1021/jp075975l. Epub 2008 Feb 26.

PMID:
18298108

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