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404 related items for PubMed ID: 20857992

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  • 5. 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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  • 7. 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 12; 20(10):1104-19. PubMed ID: 18506832
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  • 10. A theoretical reappraisal of polylysine in the investigation of secondary structure sensitivity of infrared spectra.
    Polzi LZ, Daidone I, Amadei A.
    J Phys Chem B; 2012 Mar 15; 116(10):3353-60. PubMed ID: 22397736
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  • 11. 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 15; 41(3):432-41. PubMed ID: 18288813
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  • 12. Discrepancies between conformational distributions of a polyalanine peptide in solution obtained from molecular dynamics force fields and amide I' band profiles.
    Verbaro D, Ghosh I, Nau WM, Schweitzer-Stenner R.
    J Phys Chem B; 2010 Dec 30; 114(51):17201-8. PubMed ID: 21138254
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  • 13. 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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  • 14. Two-dimensional infrared spectroscopy of the alanine dipeptide in aqueous solution.
    Kim YS, Wang J, Hochstrasser RM.
    J Phys Chem B; 2005 Apr 21; 109(15):7511-21. PubMed ID: 16851862
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  • 15. Simulations of the temperature dependence of amide I vibration.
    Kaminský J, Bouř P, Kubelka J.
    J Phys Chem A; 2011 Jan 13; 115(1):30-4. PubMed ID: 21141980
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  • 16. CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model.
    Patel S, Mackerell AD, Brooks CL.
    J Comput Chem; 2004 Sep 13; 25(12):1504-14. PubMed ID: 15224394
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  • 17. Ab initio modeling of amide I coupling in antiparallel beta-sheets and the effect of 13C isotopic labeling on infrared spectra.
    Bour P, Keiderling TA.
    J Phys Chem B; 2005 Mar 24; 109(11):5348-57. PubMed ID: 16863201
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  • 18. Comparative study of electrostatic models for the amide-I and -II modes: linear and two-dimensional infrared spectra.
    Maekawa H, Ge NH.
    J Phys Chem B; 2010 Jan 28; 114(3):1434-46. PubMed ID: 20050636
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  • 19. Molecular mechanics force field-based map for peptide amide-I mode in solution and its application to alanine di- and tripeptides.
    Cai K, Han C, Wang J.
    Phys Chem Chem Phys; 2009 Oct 28; 11(40):9149-59. PubMed ID: 19812835
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  • 20. 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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