BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

117 related articles for article (PubMed ID: 27004868)

  • 1. Vibrational infrared and Raman spectra of polypeptides: Fragments-in-fragments within molecular tailoring approach.
    Sahu N; Gadre SR
    J Chem Phys; 2016 Mar; 144(11):114113. PubMed ID: 27004868
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Accurate vibrational spectra via molecular tailoring approach: a case study of water clusters at MP2 level.
    Sahu N; Gadre SR
    J Chem Phys; 2015 Jan; 142(1):014107. PubMed ID: 25573553
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Molecules-in-molecules fragment-based method for the calculation of chiroptical spectra of large molecules: Vibrational circular dichroism and Raman optical activity spectra of alanine polypeptides.
    Jose KV; Raghavachari K
    Chirality; 2016 Dec; 28(12):755-768. PubMed ID: 27897329
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Revised vibrational band assignments for the experimental IR and Raman spectra of 2,3,4-trifluorobenzonitrile based on ab initio, DFT and normal coordinate calculations.
    Hiremath CS; Kalkoti GB; Aralakkanavar MK
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep; 74(1):200-4. PubMed ID: 19560961
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Density functional theory studies on the Raman and IR spectra of meso-tetraphenylporphyrin diacid.
    Xu LC; Li ZY; Tan W; He TJ; Liu FC; Chen DM
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Dec; 62(4-5):850-62. PubMed ID: 16303631
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Vibrational spectra of 3,5-dimethylpyrazole and deuterated derivatives.
    Orza JM; García MV; Alkorta I; Elguero J
    Spectrochim Acta A Mol Biomol Spectrosc; 2000 Jul; 56A(8):1469-98. PubMed ID: 10907878
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Fragment quantum chemical approach to geometry optimization and vibrational spectrum calculation of proteins.
    Liu J; Zhang JZ; He X
    Phys Chem Chem Phys; 2016 Jan; 18(3):1864-75. PubMed ID: 26686896
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Density functional calculations on the structure, vibrational frequencies and normal modes of 7-Azaindole.
    Karthikeyan B
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Jul; 64(4):1083-7. PubMed ID: 16458064
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Theoretical and experimental study of the vibrational spectrum of N-acetyl-L-alanine.
    Bruyneel C; Chandra AK; Uchimaru T; Zeegers-Huyskens T
    Spectrochim Acta A Mol Biomol Spectrosc; 2000 Feb; 56(3):591-602. PubMed ID: 10794474
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Comparison of experimental and ab initio HF and DFT vibrational spectra of benzimidazole.
    Sundaraganesan N; Ilakiamani S; Subramani P; Joshua BD
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul; 67(3-4):628-35. PubMed ID: 16979935
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study.
    Stare J; Panek J; Eckert J; Grdadolnik J; Mavri J; Hadzi D
    J Phys Chem A; 2008 Feb; 112(7):1576-86. PubMed ID: 18225869
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Analysis of the infrared and Raman spectra of phenylacetic acid and mandelic (2-hydroxy-2-phenylacetic) acid.
    Badawi HM; Förner W
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Mar; 78(3):1162-7. PubMed ID: 21233012
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Analysis of secondary structure effects on the IR and Raman spectra of polypeptides in terms of localized vibrations.
    Jacob CR; Luber S; Reiher M
    J Phys Chem B; 2009 May; 113(18):6558-73. PubMed ID: 19361178
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Approximate solution of the mode-mode coupling integral: Application to cytosine and its deuterated derivative.
    Rasheed T; Ahmad S
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Oct; 77(2):446-56. PubMed ID: 20638327
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Spectroscopic and structural studies on lactose species in aqueous solution combining the HATR and Raman spectra with SCRF calculations.
    Márquez MJ; Brizuela AB; Davies L; Brandán SA
    Carbohydr Res; 2015 Apr; 407():34-41. PubMed ID: 25704196
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Analysis of vibrational spectra of 5,6-dimethyl benzimidazole based on density functional theory calculations.
    Krishnakumar V; Seshadri S; Muthunatasen S
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):811-6. PubMed ID: 17475545
    [TBL] [Abstract][Full Text] [Related]  

  • 17. FT-IR, NIR-FT-Raman and gas phase infrared spectra of 3-aminoacetophenone by density functional theory and ab initio Hartree-Fock calculations.
    Subramanian MK; Anbarasan PM; Ilangovan V; Babu SM
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):59-67. PubMed ID: 18178129
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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; 131(13):135102. PubMed ID: 19814574
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Scaled quantum chemical calculations and FT-IR, FT-Raman spectral analysis of 2-methyl piperazine.
    Krishnakumar V; Seshadri S
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):833-8. PubMed ID: 17317283
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Dihedral angles of tripeptides in solution directly determined by polarized Raman and FTIR spectroscopy.
    Schweitzer-Stenner R
    Biophys J; 2002 Jul; 83(1):523-32. PubMed ID: 12080139
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.