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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 [Abstract] [Full Text] [Related]
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 [Abstract] [Full Text] [Related]
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 [Abstract] [Full Text] [Related]
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]
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 [Abstract] [Full Text] [Related]
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 [Abstract] [Full Text] [Related]
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 [Abstract] [Full Text] [Related]
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] Page: [Next] [New Search]