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Items: 1 to 20 of 311

1.
2.

The folding thermodynamics and kinetics of crambin using an all-atom Monte Carlo simulation.

Shimada J, Kussell EL, Shakhnovich EI.

J Mol Biol. 2001 Apr 20;308(1):79-95.

PMID:
11302709
3.

Molecular dynamics simulations of beta-hairpin folding.

Wang H, Varady J, Ng L, Sung SS.

Proteins. 1999 Nov 15;37(3):325-33.

PMID:
10591094
4.

The protein folding transition state: insights from kinetics and thermodynamics.

Travasso RD, FaĆ­sca PF, Rey A.

J Chem Phys. 2010 Sep 28;133(12):125102. doi: 10.1063/1.3485286.

PMID:
20886966
5.

Factors governing the foldability of proteins.

Klimov DK, Thirumalai D.

Proteins. 1996 Dec;26(4):411-41.

PMID:
8990496
6.

Constrained proper sampling of conformations of transition state ensemble of protein folding.

Lin M, Zhang J, Lu HM, Chen R, Liang J.

J Chem Phys. 2011 Feb 21;134(7):075103. doi: 10.1063/1.3519056.

7.

Folding simulations of small proteins.

Kim SY, Lee J, Lee J.

Biophys Chem. 2005 Apr 1;115(2-3):195-200. Epub 2005 Jan 6.

PMID:
15752604
8.

Hierarchy of folding and unfolding events of protein G, CI2, and ACBP from explicit-solvent simulations.

Camilloni C, Broglia RA, Tiana G.

J Chem Phys. 2011 Jan 28;134(4):045105. doi: 10.1063/1.3523345.

PMID:
21280806
9.

Multiscale investigation of chemical interference in proteins.

Samiotakis A, Homouz D, Cheung MS.

J Chem Phys. 2010 May 7;132(17):175101. doi: 10.1063/1.3404401.

PMID:
20459186
11.

Determination of a transition state at atomic resolution from protein engineering data.

Paci E, Vendruscolo M, Dobson CM, Karplus M.

J Mol Biol. 2002 Nov 15;324(1):151-63.

PMID:
12421565
12.

Multiple protein folding nuclei and the transition state ensemble in two-state proteins.

Klimov DK, Thirumalai D.

Proteins. 2001 Jun 1;43(4):465-75.

PMID:
11340662
13.

Equilibrium distribution from distributed computing (simulations of protein folding).

Scalco R, Caflisch A.

J Phys Chem B. 2011 May 19;115(19):6358-65. doi: 10.1021/jp2014918. Epub 2011 Apr 25.

PMID:
21517045
14.

Coarse kMC-based replica exchange algorithms for the accelerated simulation of protein folding in explicit solvent.

Peter EK, Shea JE, Pivkin IV.

Phys Chem Chem Phys. 2016 May 14;18(18):13052-65. doi: 10.1039/c5cp06867c. Epub 2016 Apr 25.

PMID:
27111190
15.
16.

Protein modeling with reduced representation: statistical potentials and protein folding mechanism.

Ekonomiuk D, Kielbasinski M, Kolinski A.

Acta Biochim Pol. 2005;52(4):741-8. Epub 2005 May 31. Review.

17.

Folding dynamics of Trp-cage in the presence of chemical interference and macromolecular crowding. I.

Samiotakis A, Cheung MS.

J Chem Phys. 2011 Nov 7;135(17):175101. doi: 10.1063/1.3656691.

PMID:
22070323
18.

Global optimization and folding pathways of selected alpha-helical proteins.

Carr JM, Wales DJ.

J Chem Phys. 2005 Dec 15;123(23):234901.

PMID:
16392943
19.

Kinetics and mechanism of the unfolding native-to-loop transition of Trp-cage in explicit solvent via optimized forward flux sampling simulations.

Velez-Vega C, Borrero EE, Escobedo FA.

J Chem Phys. 2010 Sep 14;133(10):105103. doi: 10.1063/1.3474803.

PMID:
20849192
20.

Estimation of protein folding rate from Monte Carlo simulations and entropy capacity.

Galzitskaya OV.

Curr Protein Pept Sci. 2010 Nov;11(7):523-37.

PMID:
20887263

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