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Journal Abstract Search

206 related items for PubMed ID: 22891757

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  • 4. 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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  • 5. 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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  • 11. 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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  • 12. 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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  • 14. 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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  • 15. 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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  • 16. 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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  • 20. 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 28; 25(12):1504-14. PubMed ID: 15224394
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