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Items: 1 to 20 of 121

1.

Coarse-grained molecular dynamics simulations of photoswitchable assembly and disassembly.

Zheng X, Wang D, Shuai Z.

Nanoscale. 2013 May 7;5(9):3681-9. doi: 10.1039/c3nr33619k. Epub 2013 Mar 14.

PMID:
23487154
2.

Molecular dynamics simulations of the supramolecular assembly between an azobenzene-containing surfactant and α-cyclodextrin: role of photoisomerization.

Zheng X, Wang D, Shuai Z, Zhang X.

J Phys Chem B. 2012 Jan 19;116(2):823-32. doi: 10.1021/jp2073107. Epub 2012 Jan 9.

PMID:
22136486
3.

Unusual, photo-induced self-assembly of azobenzene-containing amphiphiles.

Li Z, Wang P, Liu B, Wang Y, Zhang J, Yan Y, Ma Y.

Soft Matter. 2014 Nov 21;10(43):8758-64. doi: 10.1039/c4sm01395f.

PMID:
25277778
4.

Study of the Alzheimer's Aβ40 peptide in SDS micelles using molecular dynamics simulations.

Jalili S, Akhavan M.

Biophys Chem. 2011 Jan;153(2-3):179-86. doi: 10.1016/j.bpc.2010.11.007. Epub 2010 Dec 3.

PMID:
21183271
5.

The role of electrostatics and temperature on morphological transitions of hydrogel nanostructures self-assembled by peptide amphiphiles via molecular dynamics simulations.

Fu IW, Markegard CB, Chu BK, Nguyen HD.

Adv Healthc Mater. 2013 Oct;2(10):1388-400. doi: 10.1002/adhm.201200400. Epub 2013 Apr 4.

PMID:
23554376
6.

Photocontrol of reversible amyloid formation with a minimal-design peptide.

Waldauer SA, Hassan S, Paoli B, Donaldson PM, Pfister R, Hamm P, Caflisch A, Pellarin R.

J Phys Chem B. 2012 Aug 2;116(30):8961-73. doi: 10.1021/jp305311z. Epub 2012 Jul 16.

PMID:
22724381
7.

Modeling the self-assembly of peptide amphiphiles into fibers using coarse-grained molecular dynamics.

Lee OS, Cho V, Schatz GC.

Nano Lett. 2012 Sep 12;12(9):4907-13. doi: 10.1021/nl302487m. Epub 2012 Aug 31.

PMID:
22924639
10.

Self-assembly of amphiphilic peptide (AF)6H5K15: coarse-grained molecular dynamics simulation.

Thota N, Luo Z, Hu Z, Jiang J.

J Phys Chem B. 2013 Aug 22;117(33):9690-8. doi: 10.1021/jp4059752. Epub 2013 Aug 8.

PMID:
23927837
11.

Structure formation in binary mixtures of lipids and detergents: self-assembly and vesicle division.

Noguchi H.

J Chem Phys. 2013 Jan 14;138(2):024907. doi: 10.1063/1.4774324.

PMID:
23320721
12.

Photoswitchable gel assembly based on molecular recognition.

Yamaguchi H, Kobayashi Y, Kobayashi R, Takashima Y, Hashidzume A, Harada A.

Nat Commun. 2012 Jan 3;3:603. doi: 10.1038/ncomms1617.

13.
14.

Design of a photoswitchable hollow microcapsular drug delivery system by using a supramolecular drug-loading approach.

Xiao W, Chen WH, Zhang J, Li C, Zhuo RX, Zhang XZ.

J Phys Chem B. 2011 Nov 24;115(46):13796-802. doi: 10.1021/jp208692c. Epub 2011 Nov 1.

PMID:
22017588
15.

Sphere-to-rod transitions of nonionic surfactant micelles in aqueous solution modeled by molecular dynamics simulations.

Velinova M, Sengupta D, Tadjer AV, Marrink SJ.

Langmuir. 2011 Dec 6;27(23):14071-7. doi: 10.1021/la203055t. Epub 2011 Oct 27.

PMID:
21981373
16.

Supramolecular self-assembly of monoend-functionalized methoxy poly(ethylene glycol) and α-cyclodextrin: from micelles to hydrogel.

Long Y, Song H, He B, Lai Y, Liu R, Long C, Gu Z.

J Biomater Appl. 2012 Sep;27(3):333-44. doi: 10.1177/0885328211405246. Epub 2011 Sep 16.

PMID:
21926145
17.

Derivation of coarse grained models for multiscale simulation of liquid crystalline phase transitions.

Mukherjee B, Delle Site L, Kremer K, Peter C.

J Phys Chem B. 2012 Jul 26;116(29):8474-84. doi: 10.1021/jp212300d. Epub 2012 Apr 26.

PMID:
22475134
18.
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20.

Chain dynamics of poly(ethylene-alt-propylene) melts by means of coarse-grained simulations based on atomistic molecular dynamics.

Pérez-Aparicio R, Colmenero J, Alvarez F, Padding JT, Briels WJ.

J Chem Phys. 2010 Jan 14;132(2):024904. doi: 10.1063/1.3280067.

PMID:
20095706

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