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Journal Abstract Search

243 related items for PubMed ID: 19812835

  • 21. 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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  • 25. A study of N-methylacetamide in water clusters: based on atom-bond electronegativity equalization method fused into molecular mechanics.
    Yang ZZ, Qian P.
    J Chem Phys; 2006 Aug 14; 125(6):64311. PubMed ID: 16942290
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  • 26. Empirical solvent correction for multiple amide group vibrational modes.
    Bour P, Michalík D, Kapitán J.
    J Chem Phys; 2005 Apr 08; 122(14):144501. PubMed ID: 15847539
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  • 32. 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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  • 33. Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations.
    Mackerell AD, Feig M, Brooks CL.
    J Comput Chem; 2004 Aug 07; 25(11):1400-15. PubMed ID: 15185334
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  • 35. 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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  • 40. Mapping the amide-I vibrations of model dipeptides with secondary structure sensitivity and amino acid residue specificity, and its application to amyloid β-peptide in aqueous solution.
    Cai K, Zheng X, Liu J, Du F, Yan G, Zhuang D, Yan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2019 Aug 05; 219():391-400. PubMed ID: 31059891
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