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Journal Abstract Search

446 related items for PubMed ID: 16888772

  • 1. 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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  • 3. Direct calculations of vibrational absorption and circular dichroism spectra of alanine dipeptide analog in water: quantum mechanical/molecular mechanical molecular dynamics simulations.
    Yang S, Cho M.
    J Chem Phys; 2009 Oct 07; 131(13):135102. PubMed ID: 19814574
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  • 5. Characteristic two-dimensional IR spectroscopic features of antiparallel and parallel beta-sheet polypeptides: simulation studies.
    Hahn S, Kim SS, Lee C, Cho M.
    J Chem Phys; 2005 Aug 22; 123(8):084905. PubMed ID: 16164328
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  • 8. Conformational manifold of alpha-aminoisobutyric acid (Aib) containing alanine-based tripeptides in aqueous solution explored by vibrational spectroscopy, electronic circular dichroism spectroscopy, and molecular dynamics simulations.
    Schweitzer-Stenner R, Gonzales W, Bourne GT, Feng JA, Marshall GR.
    J Am Chem Soc; 2007 Oct 31; 129(43):13095-109. PubMed ID: 17918837
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  • 9. Phosphorylation effect on the GSSS peptide conformation in water: infrared, vibrational circular dichroism, and circular dichroism experiments and comparisons with molecular dynamics simulations.
    Lee KK, Joo C, Yang S, Han H, Cho M.
    J Chem Phys; 2007 Jun 21; 126(23):235102. PubMed ID: 17600445
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  • 11. Simulation studies of amide I IR absorption and two-dimensional IR spectra of beta hairpins in liquid water.
    Hahn S, Ham S, Cho M.
    J Phys Chem B; 2005 Jun 16; 109(23):11789-801. PubMed ID: 16852448
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  • 12. 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 16; 41(3):432-41. PubMed ID: 18288813
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  • 13. The conformation of tetraalanine in water determined by polarized Raman, FT-IR, and VCD spectroscopy.
    Schweitzer-Stenner R, Eker F, Griebenow K, Cao X, Nafie LA.
    J Am Chem Soc; 2004 Mar 10; 126(9):2768-76. PubMed ID: 14995194
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  • 15. Classical and quantum mechanical/molecular mechanical molecular dynamics simulations of alanine dipeptide in water: comparisons with IR and vibrational circular dichroism spectra.
    Kwac K, Lee KK, Han JB, Oh KI, Cho M.
    J Chem Phys; 2008 Mar 14; 128(10):105106. PubMed ID: 18345930
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  • 16. Vibrational circular dichroism and IR spectral analysis as a test of theoretical conformational modeling for a cyclic hexapeptide.
    Bour P, Kim J, Kapitan J, Hammer RP, Huang R, Wu L, Keiderling TA.
    Chirality; 2008 Nov 14; 20(10):1104-19. PubMed ID: 18506832
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  • 17. Azido gauche effect on the backbone conformation of β-azidoalanine peptides.
    Oh KI, Kim W, Joo C, Yoo DG, Han H, Hwang GS, Cho M.
    J Phys Chem B; 2010 Oct 14; 114(40):13021-9. PubMed ID: 20849143
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  • 18. Simulated IR, isotropic and anisotropic Raman, and vibrational circular dichroism amide I band profiles of stacked β-sheets.
    Schweitzer-Stenner R.
    J Phys Chem B; 2012 Apr 12; 116(14):4141-53. PubMed ID: 22390232
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  • 19. Toward detecting the formation of a single helical turn by 2D IR cross peaks between the amide-I and -II modes.
    Maekawa H, De Poli M, Moretto A, Toniolo C, Ge NH.
    J Phys Chem B; 2009 Aug 27; 113(34):11775-86. PubMed ID: 19642666
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  • 20. Cross-strand coupling and site-specific unfolding thermodynamics of a trpzip beta-hairpin peptide using 13C isotopic labeling and IR spectroscopy.
    Huang R, Wu L, McElheny D, Bour P, Roy A, Keiderling TA.
    J Phys Chem B; 2009 Apr 23; 113(16):5661-74. PubMed ID: 19326892
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