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2493 related items for PubMed ID: 17256894

  • 1. Infrared and vibrational CD spectra of partially solvated alpha-helices: DFT-based simulations with explicit solvent.
    Turner DR, Kubelka J.
    J Phys Chem B; 2007 Feb 22; 111(7):1834-45. PubMed ID: 17256894
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  • 2. Solvent effects on IR and VCD spectra of helical peptides: DFT-based static spectral simulations with explicit water.
    Kubelka J, Huang R, Keiderling TA.
    J Phys Chem B; 2005 Apr 28; 109(16):8231-43. PubMed ID: 16851962
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  • 3. DFT-based simulations of IR amide I' spectra for a small protein in solution. Comparison of explicit and empirical solvent models.
    Grahnen JA, Amunson KE, Kubelka J.
    J Phys Chem B; 2010 Oct 14; 114(40):13011-20. PubMed ID: 20857992
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  • 4. The solvent-dependent shift of the amide I band of a fully solvated peptide as a local probe for the solvent composition in the peptide/solvent interface.
    Paschek D, Pühse M, Perez-Goicochea A, Gnanakaran S, García AE, Winter R, Geiger A.
    Chemphyschem; 2008 Dec 22; 9(18):2742-50. PubMed ID: 19035605
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  • 6. Vibrational spectral simulation for peptides of mixed secondary structure: method comparisons with the Trpzip model hairpin.
    Bour P, Keiderling TA.
    J Phys Chem B; 2005 Dec 15; 109(49):23687-97. PubMed ID: 16375349
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  • 8. Structural analyses of experimental 13C edited amide I' IR and VCD for peptide β-sheet aggregates and fibrils using DFT-based spectral simulations.
    Welch WR, Keiderling TA, Kubelka J.
    J Phys Chem B; 2013 Sep 12; 117(36):10359-69. PubMed ID: 23924239
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  • 9. FTIR spectroscopy of alanine-based peptides: assignment of the amide I' modes for random coil and helix.
    Martinez G, Millhauser G.
    J Struct Biol; 1995 Sep 12; 114(1):23-7. PubMed ID: 7772415
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  • 11. Short alanine-based peptides may form 3(10)-helices and not alpha-helices in aqueous solution.
    Miick SM, Martinez GV, Fiori WR, Todd AP, Millhauser GL.
    Nature; 1992 Oct 15; 359(6396):653-5. PubMed ID: 1328890
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  • 12. Amide I infrared spectral features characteristic of some untypical conformations appearing in the structures suggested for amyloids.
    Torii H.
    J Phys Chem B; 2008 Jul 24; 112(29):8737-43. PubMed ID: 18582018
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  • 13. Amide I two-dimensional infrared spectroscopy of proteins.
    Ganim Z, Chung HS, Smith AW, Deflores LP, Jones KC, Tokmakoff A.
    Acc Chem Res; 2008 Mar 24; 41(3):432-41. PubMed ID: 18288813
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  • 14. DFT-based simulations of amide I' IR spectra of a small protein in solution using empirical electrostatic map with a continuum solvent model.
    Welch WR, Kubelka J.
    J Phys Chem B; 2012 Sep 06; 116(35):10739-47. PubMed ID: 22891757
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  • 15. Nature of vibrational coupling in helical peptides: an isotopic labeling study.
    Huang R, Kubelka J, Barber-Armstrong W, Silva RA, Decatur SM, Keiderling TA.
    J Am Chem Soc; 2004 Mar 03; 126(8):2346-54. PubMed ID: 14982438
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  • 17. Vibrational spectroscopic characteristics of secondary structure polypeptides in liquid water: constrained MD simulation studies.
    Choi JH, Hahn S, Cho M.
    Biopolymers; 2006 Dec 05; 83(5):519-36. PubMed ID: 16888772
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  • 18. Side chain dependence of intensity and wavenumber position of amide I' in IR and visible Raman spectra of XA and AX dipeptides.
    Measey T, Hagarman A, Eker F, Griebenow K, Schweitzer-Stenner R.
    J Phys Chem B; 2005 Apr 28; 109(16):8195-205. PubMed ID: 16851958
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