BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

410 related articles for article (PubMed ID: 20857992)

  • 1. DFT-based simulations of IR amide I' spectra for a small protein in solution. Comparison of explicit and empirical solvent models.
    Grahnen JA; Amunson KE; Kubelka J
    J Phys Chem B; 2010 Oct; 114(40):13011-20. PubMed ID: 20857992
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Infrared and vibrational CD spectra of partially solvated alpha-helices: DFT-based simulations with explicit solvent.
    Turner DR; Kubelka J
    J Phys Chem B; 2007 Feb; 111(7):1834-45. PubMed ID: 17256894
    [TBL] [Abstract][Full Text] [Related]  

  • 3. DFT-based simulations of amide I' IR spectra of a small protein in solution using empirical electrostatic map with a continuum solvent model.
    Welch WR; Kubelka J
    J Phys Chem B; 2012 Sep; 116(35):10739-47. PubMed ID: 22891757
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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; 109(16):8231-43. PubMed ID: 16851962
    [TBL] [Abstract][Full Text] [Related]  

  • 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; 117(36):10359-69. PubMed ID: 23924239
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Side chain dependence of intensity and wavenumber position of amide I' in IR and visible Raman spectra of XA and AX dipeptides.
    Measey T; Hagarman A; Eker F; Griebenow K; Schweitzer-Stenner R
    J Phys Chem B; 2005 Apr; 109(16):8195-205. PubMed ID: 16851958
    [TBL] [Abstract][Full Text] [Related]  

  • 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; 20(10):1104-19. PubMed ID: 18506832
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Amide I'-II' 2D IR spectroscopy provides enhanced protein secondary structural sensitivity.
    Deflores LP; Ganim Z; Nicodemus RA; Tokmakoff A
    J Am Chem Soc; 2009 Mar; 131(9):3385-91. PubMed ID: 19256572
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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; 9(18):2742-50. PubMed ID: 19035605
    [TBL] [Abstract][Full Text] [Related]  

  • 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; 116(10):3353-60. PubMed ID: 22397736
    [TBL] [Abstract][Full Text] [Related]  

  • 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; 41(3):432-41. PubMed ID: 18288813
    [TBL] [Abstract][Full Text] [Related]  

  • 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; 114(51):17201-8. PubMed ID: 21138254
    [TBL] [Abstract][Full Text] [Related]  

  • 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; 113(16):5661-74. PubMed ID: 19326892
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Two-dimensional infrared spectroscopy of the alanine dipeptide in aqueous solution.
    Kim YS; Wang J; Hochstrasser RM
    J Phys Chem B; 2005 Apr; 109(15):7511-21. PubMed ID: 16851862
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Simulations of the temperature dependence of amide I vibration.
    Kaminský J; Bouř P; Kubelka J
    J Phys Chem A; 2011 Jan; 115(1):30-4. PubMed ID: 21141980
    [TBL] [Abstract][Full Text] [Related]  

  • 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; 25(12):1504-14. PubMed ID: 15224394
    [TBL] [Abstract][Full Text] [Related]  

  • 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; 109(11):5348-57. PubMed ID: 16863201
    [TBL] [Abstract][Full Text] [Related]  

  • 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; 114(3):1434-46. PubMed ID: 20050636
    [TBL] [Abstract][Full Text] [Related]  

  • 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; 11(40):9149-59. PubMed ID: 19812835
    [TBL] [Abstract][Full Text] [Related]  

  • 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; 109(49):23687-97. PubMed ID: 16375349
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 21.