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Items: 1 to 20 of 68

1.

A comparison of the electromechanical properties of structurally diverse proteins by molecular dynamics simulation.

Elsheshiny AA, Ashcroft AE, Harris SA.

J Biomol Struct Dyn. 2014;32(11):1734-41. doi: 10.1080/07391102.2013.833864. Epub 2013 Sep 13.

PMID:
24028659
2.

Loading device effect on protein unfolding mechanics.

Yoon G, Na S, Eom K.

J Chem Phys. 2012 Jul 14;137(2):025102. doi: 10.1063/1.4732798.

PMID:
22803564
3.

Insights into the structural stability of Bax from molecular dynamics simulations at high temperatures.

Rosas-Trigueros JL, Correa-Basurto J, Benítez-Cardoza CG, Zamorano-Carrillo A.

Protein Sci. 2011 Dec;20(12):2035-46. doi: 10.1002/pro.740. Epub 2011 Nov 1.

4.

Effect of strong electric field on the conformational integrity of insulin.

Wang X, Li Y, He X, Chen S, Zhang JZ.

J Phys Chem A. 2014 Oct 2;118(39):8942-52. doi: 10.1021/jp501051r. Epub 2014 May 12.

PMID:
24796962
5.

Microscopic hydration properties of the aβ1-42 Peptide monomer and the globular protein ubiquitin: a comparative molecular dynamics study.

Jose JC, Khatua P, Bansal N, Sengupta N, Bandyopadhyay S.

J Phys Chem B. 2014 Oct 9;118(40):11591-604. doi: 10.1021/jp505629q. Epub 2014 Sep 29.

PMID:
25198420
6.
7.

External electric field effects on the mechanical properties of the αβ-tubulin dimer of microtubules: a molecular dynamics study.

Saeidi HR, Lohrasebi A, Mahnam K.

J Mol Model. 2014 Aug;20(8):2395. doi: 10.1007/s00894-014-2395-1. Epub 2014 Aug 6.

PMID:
25096813
8.

Effect of high exogenous electric pulses on protein conformation: myoglobin as a case study.

Marracino P, Apollonio F, Liberti M, d'Inzeo G, Amadei A.

J Phys Chem B. 2013 Feb 28;117(8):2273-9. doi: 10.1021/jp309857b. Epub 2013 Feb 15.

PMID:
23356942
9.

Microsecond molecular dynamics simulation of guanidinium chloride induced unfolding of ubiquitin.

Mandal M, Mukhopadhyay C.

Phys Chem Chem Phys. 2014 Oct 21;16(39):21706-16. doi: 10.1039/c4cp01657b. Epub 2014 Sep 8.

PMID:
25197836
10.

Molecular Effects of Concentrated Solutes on Protein Hydration, Dynamics, and Electrostatics.

Abriata LA, Spiga E, Peraro MD.

Biophys J. 2016 Aug 23;111(4):743-755. doi: 10.1016/j.bpj.2016.07.011.

11.

Investigation of ubiquitin deformation mechanism under induced stretch-compression loads.

Banu M, Patriche S, Coman M, Matsushita S, Tofan A, Epureanu A.

Rom J Morphol Embryol. 2011;52(1 Suppl):449-54.

12.

Evaluation of reduced point charge models of proteins through Molecular Dynamics simulations: application to the Vps27 UIM-1-Ubiquitin complex.

Leherte L, Vercauteren DP.

J Mol Graph Model. 2014 Feb;47:44-61. doi: 10.1016/j.jmgm.2013.10.011. Epub 2013 Nov 14.

PMID:
24316938
13.

Effects of external electric fields on lysozyme adsorption by molecular dynamics simulations.

Xie Y, Liao C, Zhou J.

Biophys Chem. 2013 Sep;179:26-34. doi: 10.1016/j.bpc.2013.05.002. Epub 2013 May 14.

PMID:
23727988
14.

Exploring the structure and conformational landscape of human leptin. A molecular dynamics approach.

Chimal-Vega B, Paniagua-Castro N, Carrillo Vazquez J, Rosas-Trigueros JL, Zamorano-Carrillo A, Benítez-Cardoza CG.

J Theor Biol. 2015 Nov 21;385:90-101. doi: 10.1016/j.jtbi.2015.08.014. Epub 2015 Sep 3.

PMID:
26342543
15.

A demonstration of the inhomogeneity of the local dielectric response of proteins by molecular dynamics simulations.

Patargias GN, Harris SA, Harding JH.

J Chem Phys. 2010 Jun 21;132(23):235103. doi: 10.1063/1.3430628.

PMID:
20572740
16.

The role of binding site on the mechanical unfolding mechanism of ubiquitin.

Cao P, Yoon G, Tao W, Eom K, Park HS.

Sci Rep. 2015 Mar 4;5:8757. doi: 10.1038/srep08757.

17.

Continuum electromechanical modeling of protein-membrane interactions.

Zhou YC, Lu B, Gorfe AA.

Phys Rev E Stat Nonlin Soft Matter Phys. 2010 Oct;82(4 Pt 1):041923. Epub 2010 Oct 28.

PMID:
21230329
18.

Molecular dynamics simulation exploration of unfolding and refolding of a ten-amino acid miniprotein.

Zhao GJ, Cheng CL.

Amino Acids. 2012 Aug;43(2):557-65. doi: 10.1007/s00726-011-1150-5. Epub 2011 Nov 24.

PMID:
22113644
19.

Some practical approaches to treating electrostatic polarization of proteins.

Ji C, Mei Y.

Acc Chem Res. 2014 Sep 16;47(9):2795-803. doi: 10.1021/ar500094n. Epub 2014 Jun 2.

PMID:
24883956
20.

Single-molecule studies on PolySUMO proteins reveal their mechanical flexibility.

Kotamarthi HC, Sharma R, Koti Ainavarapu SR.

Biophys J. 2013 May 21;104(10):2273-81. doi: 10.1016/j.bpj.2013.04.008.

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