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2401 related items for PubMed ID: 19456096

  • 1. Computational vibrational spectroscopy of peptides and proteins in one and two dimensions.
    Jeon J, Yang S, Choi JH, Cho M.
    Acc Chem Res; 2009 Sep 15; 42(9):1280-9. PubMed ID: 19456096
    [Abstract] [Full Text] [Related]

  • 2. 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. Computational spectroscopy of ubiquitin: comparison between theory and experiments.
    Choi JH, Lee H, Lee KK, Hahn S, Cho M.
    J Chem Phys; 2007 Jan 28; 126(4):045102. PubMed ID: 17286512
    [Abstract] [Full Text] [Related]

  • 4. Infrared optical activity: electric field approaches in time domain.
    Rhee H, Choi JH, Cho M.
    Acc Chem Res; 2010 Dec 21; 43(12):1527-36. PubMed ID: 20931956
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  • 5. Two-dimensional infrared spectroscopy of intermolecular hydrogen bonds in the condensed phase.
    Elsaesser T.
    Acc Chem Res; 2009 Sep 15; 42(9):1220-8. PubMed ID: 19425543
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  • 6. Ultrafast structural dynamics of biomolecules examined by multiple-mode 2D IR spectroscopy: anharmonically coupled motions are in harmony.
    Wang J, Cai K, Ma X.
    Chemphyschem; 2009 Sep 14; 10(13):2242-50. PubMed ID: 19637206
    [Abstract] [Full Text] [Related]

  • 7. 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
    [Abstract] [Full Text] [Related]

  • 8. Molecular dynamics simulation of nonlinear spectroscopies of intermolecular motions in liquid water.
    Yagasaki T, Saito S.
    Acc Chem Res; 2009 Sep 15; 42(9):1250-8. PubMed ID: 19469530
    [Abstract] [Full Text] [Related]

  • 9. Interface-specific ultrafast two-dimensional vibrational spectroscopy.
    Bredenbeck J, Ghosh A, Nienhuys HK, Bonn M.
    Acc Chem Res; 2009 Sep 15; 42(9):1332-42. PubMed ID: 19441810
    [Abstract] [Full Text] [Related]

  • 10. 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
    [Abstract] [Full Text] [Related]

  • 11. Does ℏ play a role in multidimensional spectroscopy? Reduced hierarchy equations of motion approach to molecular vibrations.
    Sakurai A, Tanimura Y.
    J Phys Chem A; 2011 Apr 28; 115(16):4009-22. PubMed ID: 21247206
    [Abstract] [Full Text] [Related]

  • 12. Phenol-benzene complexation dynamics: quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopy.
    Kwac K, Lee C, Jung Y, Han J, Kwak K, Zheng J, Fayer MD, Cho M.
    J Chem Phys; 2006 Dec 28; 125(24):244508. PubMed ID: 17199356
    [Abstract] [Full Text] [Related]

  • 13. Multiple anharmonic vibrational probes of sugar structure and dynamics.
    Cai K, Wang J.
    J Phys Chem B; 2009 Feb 12; 113(6):1681-92. PubMed ID: 19152255
    [Abstract] [Full Text] [Related]

  • 14. Doubly resonant three-wave-mixing spectroscopy of a chiral coupled-chromophore system in solution: coherent two-dimensional optical activity spectroscopy.
    Cheon S, Lee H, Choi JH, Cho M.
    J Chem Phys; 2007 Feb 07; 126(5):054505. PubMed ID: 17302483
    [Abstract] [Full Text] [Related]

  • 15. Vibrational spectroscopy of the G...C base pair: experiment, harmonic and anharmonic calculations, and the nature of the anharmonic couplings.
    Brauer B, Gerber RB, Kabelác M, Hobza P, Bakker JM, Abo Riziq AG, de Vries MS.
    J Phys Chem A; 2005 Aug 11; 109(31):6974-84. PubMed ID: 16834057
    [Abstract] [Full Text] [Related]

  • 16. 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 11; 41(3):432-41. PubMed ID: 18288813
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  • 17. Ultrafast nonlinear coherent vibrational sum-frequency spectroscopy methods to study thermal conductance of molecules at interfaces.
    Carter JA, Wang Z, Dlott DD.
    Acc Chem Res; 2009 Sep 15; 42(9):1343-51. PubMed ID: 19388671
    [Abstract] [Full Text] [Related]

  • 18. Modeling, calculating, and analyzing multidimensional vibrational spectroscopies.
    Tanimura Y, Ishizaki A.
    Acc Chem Res; 2009 Sep 15; 42(9):1270-9. PubMed ID: 19441802
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  • 19. Vibrational dynamics of DNA. III. Molecular dynamics simulations of DNA in water and theoretical calculations of the two-dimensional vibrational spectra.
    Lee C, Park KH, Kim JA, Hahn S, Cho M.
    J Chem Phys; 2006 Sep 21; 125(11):114510. PubMed ID: 16999493
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  • 20. Modeling the vibrational dynamics and nonlinear infrared spectra of coupled amide I and II modes in peptides.
    Dijkstra AG, Jansen Tl, Knoester J.
    J Phys Chem B; 2011 May 12; 115(18):5392-401. PubMed ID: 21208013
    [Abstract] [Full Text] [Related]


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