BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

100 related articles for article (PubMed ID: 19848426)

  • 1. Axial bonding in alkylcobalamins: DFT analysis of the inverse versus normal trans influence.
    Kuta J; Wuerges J; Randaccio L; Kozlowski PM
    J Phys Chem A; 2009 Oct; 113(43):11604-12. PubMed ID: 19848426
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Performance of DFT in modeling electronic and structural properties of cobalamins.
    Kuta J; Patchkovskii S; Zgierski MZ; Kozlowski PM
    J Comput Chem; 2006 Sep; 27(12):1429-37. PubMed ID: 16807975
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Electron densities of three B12 vitamins.
    Mebs S; Henn J; Dittrich B; Paulmann C; Luger P
    J Phys Chem A; 2009 Jul; 113(29):8366-78. PubMed ID: 19569666
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Photodissociation of Co-C bond in methyl- and ethylcobalamin: an insight from TD-DFT calculations.
    Lodowski P; Jaworska M; Andruniów T; Kumar M; Kozlowski PM
    J Phys Chem B; 2009 May; 113(19):6898-909. PubMed ID: 19374399
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Time-dependent density functional theory study of cobalt corrinoids: Electronically excited states of methylcobalamin.
    Andruniów T; Jaworska M; Lodowski P; Zgierski MZ; Dreos R; Randaccio L; Kozlowski PM
    J Chem Phys; 2008 Aug; 129(8):085101. PubMed ID: 19044851
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Electronic spectroscopy and computational studies of glutathionylco(III)balamin.
    Eisenberg AS; Likhtina IV; Znamenskiy VS; Birke RL
    J Phys Chem A; 2012 Jun; 116(25):6851-69. PubMed ID: 22568547
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Understanding glycine conformation through molecular orbitals.
    Falzon CT; Wang F
    J Chem Phys; 2005 Dec; 123(21):214307. PubMed ID: 16356048
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Spectroscopic properties and electronic structure of five- and six-coordinate iron(II) porphyrin NO complexes: Effect of the axial N-donor ligand.
    Praneeth VK; Näther C; Peters G; Lehnert N
    Inorg Chem; 2006 Apr; 45(7):2795-811. PubMed ID: 16562937
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Which DFT functional performs well in the calculation of methylcobalamin? Comparison of the B3LYP and BP86 functionals and evaluation of the impact of empirical dispersion correction.
    Hirao H
    J Phys Chem A; 2011 Aug; 115(33):9308-13. PubMed ID: 21806069
    [TBL] [Abstract][Full Text] [Related]  

  • 10. cis influence in models of cobalt corrins by DFT and TD-DFT studies.
    Navizet I; Perry CB; Govender PP; Marques HM
    J Phys Chem B; 2012 Aug; 116(30):8836-45. PubMed ID: 22731781
    [TBL] [Abstract][Full Text] [Related]  

  • 11. DFT-UX3LYP studies on the coordination chemistry of Ni2+. Part 1: Six coordinate [Ni(NH3)n(H2O)(6-n)]2+ complexes.
    Varadwaj PR; Cukrowski I; Marques HM
    J Phys Chem A; 2008 Oct; 112(42):10657-66. PubMed ID: 18823109
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Trans and cis influences and effects in cobalamins and in their simple models.
    De March M; Demitri N; Geremia S; Hickey N; Randaccio L
    J Inorg Biochem; 2012 Nov; 116():215-27. PubMed ID: 22921429
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 1,2-Dibromoethyl-trichlorosilane (CH2BrCHBrSiCl3): conformational structure and vibrational properties by gas-phase electron diffraction, infrared and Raman spectroscopy, and ab initio molecular orbital and density functional theory calculations.
    Johansen TH; Hassler K; Richardson AD; Tekautz G; Hagen K
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 May; 61(7):1307-19. PubMed ID: 15820864
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Analysis of vibrational spectra of L-alanylglycine based on density functional theory calculations.
    Padmaja L; Ravikumar C; James C; Jayakumar VS; Hubert Joe I
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):252-62. PubMed ID: 18243781
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Density functional theory study of the stability and vibrational spectra of the beta-carotene isomers.
    Cerón-Carrasco JP; Bastida A; Zúñiga J; Requena A; Miguel B
    J Phys Chem A; 2009 Sep; 113(36):9899-907. PubMed ID: 19691340
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Anomeric effect in "high energy" phosphate bonds. Selective destabilization of the scissile bond and modulation of the exothermicity of hydrolysis.
    Ruben EA; Plumley JA; Chapman MS; Evanseck JD
    J Am Chem Soc; 2008 Mar; 130(11):3349-58. PubMed ID: 18302368
    [TBL] [Abstract][Full Text] [Related]  

  • 17. DFT study of structural, electronic, and spectroscopic properties of D6d endohedral fullerenes: X@C24H12 (X=Li+, Na+, K+).
    Peng S; Li XJ
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul; 73(1):67-71. PubMed ID: 19243989
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structural study of 2-(1-oxo-1 H-inden-3-yl)-2H-indene-1,3-dione by DFT calculations, NMR and IR spectroscopy.
    Riahi S; Ganjali MR; Moghaddam AB; Norouzi P; Hosseiny Davarani SS
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun; 70(1):94-8. PubMed ID: 17768082
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Determination of the g-tensors and their orientations for cis,trans-(L-N2S2)Mo(V)OX (X = Cl, SCH2Ph) by single-crystal EPR spectroscopy and molecular orbital calculations.
    Cosper MM; Neese F; Astashkin AV; Carducci MD; Raitsimring AM; Enemark JH
    Inorg Chem; 2005 Mar; 44(5):1290-301. PubMed ID: 15732969
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Experimental and theoretical comparison of actinide and lanthanide bonding in M[N(EPR(2))(2)](3) complexes (M = U, Pu, La, Ce; E = S, Se, Te; R = Ph, iPr, H).
    Gaunt AJ; Reilly SD; Enriquez AE; Scott BL; Ibers JA; Sekar P; Ingram KI; Kaltsoyannis N; Neu MP
    Inorg Chem; 2008 Jan; 47(1):29-41. PubMed ID: 18020446
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 5.