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High-temperature unfolding of a trp-cage mini-protein: a molecular dynamics simulation study.

Seshasayee AS.

Theor Biol Med Model. 2005 Mar 11;2:7.PMID: 15760474 [PubMed - indexed for MEDLINE]Related articlesFree article

Replica exchange simulation of reversible folding/unfolding of the Trp-cage miniprotein in explicit solvent: on the structure and possible role of internal water.

Paschek D, Nymeyer H, García AE.

J Struct Biol. 2007 Mar;157(3):524-33. Epub 2006 Nov 26.PMID: 17293125 [PubMed - indexed for MEDLINE]Related articles

Computing the stability diagram of the Trp-cage miniprotein.

Paschek D, Hempel S, García AE.

Proc Natl Acad Sci U S A. 2008 Nov 18;105(46):17754-9. Epub 2008 Nov 12.PMID: 19004791 [PubMed - indexed for MEDLINE]Related articlesFree article

Temperature-induced unfolding pathway of a type III antifreeze protein: insight from molecular dynamics simulation.

Kundu S, Roy D.

J Mol Graph Model. 2008 Aug;27(1):88-94. Epub 2008 Mar 16.PMID: 18434222 [PubMed - indexed for MEDLINE]Related articles

Helix nucleation kinetics from molecular simulations in explicit solvent.

Hummer G, García AE, Garde S.

Proteins. 2001 Jan 1;42(1):77-84.PMID: 11093262 [PubMed - indexed for MEDLINE]Related articles

Unfolding transition state and intermediates of the tumor suppressor p16INK4a investigated by molecular dynamics simulations.

Interlandi G, Settanni G, Caflisch A.

Proteins. 2006 Jul 1;64(1):178-92.PMID: 16596641 [PubMed - indexed for MEDLINE]Related articles

Folding simulations of Trp-cage mini protein in explicit solvent using biasing potential replica-exchange molecular dynamics simulations.

Kannan S, Zacharias M.

Proteins. 2009 Aug 1;76(2):448-60.PMID: 19173315 [PubMed - indexed for MEDLINE]Related articles

UV-resonance raman thermal unfolding study of Trp-cage shows that it is not a simple two-state miniprotein.

Ahmed Z, Beta IA, Mikhonin AV, Asher SA.

J Am Chem Soc. 2005 Aug 10;127(31):10943-50.PMID: 16076200 [PubMed - indexed for MEDLINE]Related articles

Folding transition-state and denatured-state ensembles of FSD-1 from folding and unfolding simulations.

Lei H, Dastidar SG, Duan Y.

J Phys Chem B. 2006 Nov 2;110(43):22001-8.PMID: 17064170 [PubMed - indexed for MEDLINE]Related articles

Folding Trp-cage to NMR resolution native structure using a coarse-grained protein model.

Ding F, Buldyrev SV, Dokholyan NV.

Biophys J. 2005 Jan;88(1):147-55. Epub 2004 Nov 8.PMID: 15533926 [PubMed - indexed for MEDLINE]Related articlesFree article

Trp zipper folding kinetics by molecular dynamics and temperature-jump spectroscopy.

Snow CD, Qiu L, Du D, Gai F, Hagen SJ, Pande VS.

Proc Natl Acad Sci U S A. 2004 Mar 23;101(12):4077-82. Epub 2004 Mar 12.PMID: 15020773 [PubMed - indexed for MEDLINE]Related articlesFree article

Rate constant and reaction coordinate of Trp-cage folding in explicit water.

Juraszek J, Bolhuis PG.

Biophys J. 2008 Nov 1;95(9):4246-57. Epub 2008 Aug 1.PMID: 18676648 [PubMed - indexed for MEDLINE]Related articlesFree article

Computer simulations of protein folding by targeted molecular dynamics.

Ferrara P, Apostolakis J, Caflisch A.

Proteins. 2000 May 15;39(3):252-60.PMID: 10737947 [PubMed - indexed for MEDLINE]Related articles

The Trp cage: folding kinetics and unfolded state topology via molecular dynamics simulations.

Snow CD, Zagrovic B, Pande VS.

J Am Chem Soc. 2002 Dec 11;124(49):14548-9.PMID: 12465960 [PubMed - indexed for MEDLINE]Related articles

Trp-cage: folding free energy landscape in explicit water.

Zhou R.

Proc Natl Acad Sci U S A. 2003 Nov 11;100(23):13280-5. Epub 2003 Oct 27.PMID: 14581616 [PubMed - indexed for MEDLINE]Related articlesFree article

Long dynamics simulations of proteins using atomistic force fields and a continuum representation of solvent effects: calculation of structural and dynamic properties.

Li X, Hassan SA, Mehler EL.

Proteins. 2005 Aug 15;60(3):464-84.PMID: 15959866 [PubMed - indexed for MEDLINE]Related articlesFree article

Computational study of the Trp-cage miniprotein based on the ECEPP/3 force field.

Zhan L, Chen JZ, Liu WK.

Proteins. 2007 Feb 1;66(2):436-43.PMID: 17094111 [PubMed - indexed for MEDLINE]Related articles

Understanding folding and design: replica-exchange simulations of "Trp-cage" miniproteins.

Pitera JW, Swope W.

Proc Natl Acad Sci U S A. 2003 Jun 24;100(13):7587-92. Epub 2003 Jun 13.PMID: 12808142 [PubMed - indexed for MEDLINE]Related articlesFree article

Folding processes of the B domain of protein A to the native state observed in all-atom ab initio folding simulations.

Lei H, Wu C, Wang ZX, Zhou Y, Duan Y.

J Chem Phys. 2008 Jun 21;128(23):235105.PMID: 18570534 [PubMed - indexed for MEDLINE]Related articlesFree article

Increasing temperature accelerates protein unfolding without changing the pathway of unfolding.

Day R, Bennion BJ, Ham S, Daggett V.

J Mol Biol. 2002 Sep 6;322(1):189-203.PMID: 12215424 [PubMed - indexed for MEDLINE]Related articles