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438 related items for PubMed ID: 22191905

  • 1. Transition network based on equilibrium sampling: a new method for extracting kinetic information from Monte Carlo simulations of protein folding.
    Klenin KV, Wenzel W.
    J Chem Phys; 2011 Dec 21; 135(23):235105. PubMed ID: 22191905
    [Abstract] [Full Text] [Related]

  • 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. PubMed ID: 11302709
    [Abstract] [Full Text] [Related]

  • 3. The protein folding transition state: insights from kinetics and thermodynamics.
    Travasso RD, Faísca PF, Rey A.
    J Chem Phys; 2010 Sep 28; 133(12):125102. PubMed ID: 20886966
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  • 4. Factors governing the foldability of proteins.
    Klimov DK, Thirumalai D.
    Proteins; 1996 Dec 28; 26(4):411-41. PubMed ID: 8990496
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  • 5. Folding simulations of small proteins.
    Kim SY, Lee J, Lee J.
    Biophys Chem; 2005 Apr 01; 115(2-3):195-200. PubMed ID: 15752604
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  • 6. 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. PubMed ID: 21280806
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  • 7. Multiscale investigation of chemical interference in proteins.
    Samiotakis A, Homouz D, Cheung MS.
    J Chem Phys; 2010 May 07; 132(17):175101. PubMed ID: 20459186
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  • 8. Towards a consistent modeling of protein thermodynamic and kinetic cooperativity: how applicable is the transition state picture to folding and unfolding?
    Kaya H, Chan HS.
    J Mol Biol; 2002 Jan 25; 315(4):899-909. PubMed ID: 11812156
    [Abstract] [Full Text] [Related]

  • 9. Equilibrium distribution from distributed computing (simulations of protein folding).
    Scalco R, Caflisch A.
    J Phys Chem B; 2011 May 19; 115(19):6358-65. PubMed ID: 21517045
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  • 10. 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. PubMed ID: 27111190
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  • 11. Monte Carlo simulations of protein folding. II. Application to protein A, ROP, and crambin.
    Kolinski A, Skolnick J.
    Proteins; 1994 Apr 14; 18(4):353-66. PubMed ID: 8208727
    [Abstract] [Full Text] [Related]

  • 12. Protein modeling with reduced representation: statistical potentials and protein folding mechanism.
    Ekonomiuk D, Kielbasinski M, Kolinski A.
    Acta Biochim Pol; 2005 Apr 14; 52(4):741-8. PubMed ID: 15933762
    [Abstract] [Full Text] [Related]

  • 13. Folding dynamics of Trp-cage in the presence of chemical interference and macromolecular crowding. I.
    Samiotakis A, Cheung MS.
    J Chem Phys; 2011 Nov 07; 135(17):175101. PubMed ID: 22070323
    [Abstract] [Full Text] [Related]

  • 14. Global optimization and folding pathways of selected alpha-helical proteins.
    Carr JM, Wales DJ.
    J Chem Phys; 2005 Dec 15; 123(23):234901. PubMed ID: 16392943
    [Abstract] [Full Text] [Related]

  • 15. 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. PubMed ID: 20849192
    [Abstract] [Full Text] [Related]

  • 16. Ratcheted molecular-dynamics simulations identify efficiently the transition state of protein folding.
    Tiana G, Camilloni C.
    J Chem Phys; 2012 Dec 21; 137(23):235101. PubMed ID: 23267502
    [Abstract] [Full Text] [Related]

  • 17. The folding of knotted proteins: insights from lattice simulations.
    Faísca PF, Travasso RD, Charters T, Nunes A, Cieplak M.
    Phys Biol; 2010 Feb 03; 7(1):16009. PubMed ID: 20130340
    [Abstract] [Full Text] [Related]

  • 18. Monte Carlo vs molecular dynamics for all-atom polypeptide folding simulations.
    Ulmschneider JP, Ulmschneider MB, Di Nola A.
    J Phys Chem B; 2006 Aug 24; 110(33):16733-42. PubMed ID: 16913813
    [Abstract] [Full Text] [Related]

  • 19. Coarse-grained protein model with residue orientation energies derived from atomic force fields.
    Betancourt MR.
    J Phys Chem B; 2009 Nov 05; 113(44):14824-30. PubMed ID: 19817469
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  • 20. Application of the multiensemble sampling to the equilibrium folding of proteins.
    Son HS, Kim SY, Lee J, Han KK.
    Bioinformatics; 2006 Aug 01; 22(15):1832-7. PubMed ID: 16766555
    [Abstract] [Full Text] [Related]

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