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Similar articles for PubMed (Select 22937726)

1.

REACH coarse-grained simulation of a cellulose fiber.

Glass DC, Moritsugu K, Cheng X, Smith JC.

Biomacromolecules. 2012 Sep 10;13(9):2634-44. doi: 10.1021/bm300460f. Epub 2012 Aug 31.

PMID:
22937726
2.

Understanding nanocellulose chirality and structure-properties relationship at the single fibril level.

Usov I, Nyström G, Adamcik J, Handschin S, Schütz C, Fall A, Bergström L, Mezzenga R.

Nat Commun. 2015 Jun 25;6:7564. doi: 10.1038/ncomms8564.

PMID:
26108282
3.

Molecular deformation mechanisms in cellulose allomorphs and the role of hydrogen bonds.

Djahedi C, Berglund LA, Wohlert J.

Carbohydr Polym. 2015 Oct 5;130:175-82. doi: 10.1016/j.carbpol.2015.04.073. Epub 2015 May 16.

PMID:
26076614
4.

Molecular Origin of Strength and Stiffness in Bamboo Fibrils.

Youssefian S, Rahbar N.

Sci Rep. 2015 Jun 8;5:11116. doi: 10.1038/srep11116.

5.

Nano- and mesoscale modeling of cement matrix.

Yu Z, Lau D.

Nanoscale Res Lett. 2015 Apr 11;10:173. doi: 10.1186/s11671-015-0862-y. eCollection 2015.

6.

A coarse-grain force-field for xylan and its interaction with cellulose.

Li L, Pérré P, Frank X, Mazeau K.

Carbohydr Polym. 2015 Aug 20;127:438-50. doi: 10.1016/j.carbpol.2015.04.003. Epub 2015 Apr 10.

PMID:
25965503
7.

The performance of fine-grained and coarse-grained elastic network models and its dependence on various factors.

Na H, Song G.

Proteins. 2015 Apr 27. doi: 10.1002/prot.24819. [Epub ahead of print]

PMID:
25917684
8.

Development of a coarse-grained α-chitin model on the basis of MARTINI forcefield.

Yu Z, Lau D.

J Mol Model. 2015 May;21(5):128. doi: 10.1007/s00894-015-2670-9. Epub 2015 Apr 26.

PMID:
25914123
9.

The molecular origins of twist in cellulose I-beta.

Bu L, Himmel ME, Crowley MF.

Carbohydr Polym. 2015 Jul 10;125:146-52. doi: 10.1016/j.carbpol.2015.02.023. Epub 2015 Feb 21.

PMID:
25857969
10.

Cellulosic fibers with high aspect ratio from cornhusks via controlled swelling and alkaline penetration.

Ma Z, Pan G, Xu H, Huang Y, Yang Y.

Carbohydr Polym. 2015 Jun 25;124:50-6. doi: 10.1016/j.carbpol.2015.02.008. Epub 2015 Feb 14.

PMID:
25839793
11.

Introduction of periodic boundary conditions into UNRES force field.

Sieradzan AK.

J Comput Chem. 2015 May 5;36(12):940-6. doi: 10.1002/jcc.23864. Epub 2015 Mar 8.

PMID:
25753584
12.

Simulations of room temperature ionic liquids: from polarizable to coarse-grained force fields.

Salanne M.

Phys Chem Chem Phys. 2015 May 27;17(22):14270-9. doi: 10.1039/c4cp05550k.

PMID:
25592219
13.

MARTINI coarse-grained model for crystalline cellulose microfibers.

López CA, Bellesia G, Redondo A, Langan P, Chundawat SP, Dale BE, Marrink SJ, Gnanakaran S.

J Phys Chem B. 2015 Jan 15;119(2):465-73. doi: 10.1021/jp5105938. Epub 2015 Jan 6.

PMID:
25417548
14.

COARSE-GRAINED MODELING OF PROTEIN UNFOLDING DYNAMICS.

Deng M, Karniadakis GE.

Multiscale Model Simul. 2014;12(1):109-118.

15.

Systematic methods for defining coarse-grained maps in large biomolecules.

Zhang Z.

Adv Exp Med Biol. 2015;827:33-48. doi: 10.1007/978-94-017-9245-5_4.

PMID:
25387958
16.

A coarse-grained simulation for tensile behavior of 2D Au nanocrystal superlattices.

Liu XP, Ni Y, He LH.

Nanotechnology. 2014 Nov 28;25(47):475704. doi: 10.1088/0957-4484/25/47/475704. Epub 2014 Nov 7.

PMID:
25379687
17.

Coarse-grained force fields for molecular simulations.

Barnoud J, Monticelli L.

Methods Mol Biol. 2015;1215:125-49. doi: 10.1007/978-1-4939-1465-4_7.

PMID:
25330962
18.

Hybrid coarse-grained/atomistic model of "chitosan + carbon nanostructures" composites.

Kossovich EL, Kirillova IV, Kossovich LY, Safonov RA, Ukrainskiy DV, Apshtein SA.

J Mol Model. 2014 Oct;20(10):2452. doi: 10.1007/s00894-014-2452-9. Epub 2014 Oct 14.

PMID:
25311722
19.
20.

A coarse-grained method based on the analysis of short molecular dynamics trajectories for the simulation of non-Markovian dynamics of molecules adsorbed in microporous materials.

Pintus AM, Gabrieli A, Pazzona FG, Demontis P, Suffritti GB.

J Chem Phys. 2014 Aug 21;141(7):074109. doi: 10.1063/1.4890743.

PMID:
25149777
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