These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

138 related articles for article (PubMed ID: 21114498)

  • 1. Density functional theory combined with molecular mechanics: the infrared spectra of flavin in solution.
    Rieff B; Mathias G; Bauer S; Tavan P
    Photochem Photobiol; 2011; 87(3):511-23. PubMed ID: 21114498
    [TBL] [Abstract][Full Text] [Related]  

  • 2. IR spectra of flavins in solution: DFT/MM description of redox effects.
    Rieff B; Bauer S; Mathias G; Tavan P
    J Phys Chem B; 2011 Mar; 115(9):2117-23. PubMed ID: 21309580
    [TBL] [Abstract][Full Text] [Related]  

  • 3. DFT/MM description of flavin IR spectra in BLUF domains.
    Rieff B; Bauer S; Mathias G; Tavan P
    J Phys Chem B; 2011 Sep; 115(38):11239-53. PubMed ID: 21888341
    [TBL] [Abstract][Full Text] [Related]  

  • 4. The infrared spectra of the retinal chromophore in bacteriorhodopsin calculated by a DFT/MM approach.
    Babitzki G; Mathias G; Tavan P
    J Phys Chem B; 2009 Jul; 113(30):10496-508. PubMed ID: 19580300
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Old chromophores, new photoactivation paradigms, trendy applications: flavins in blue light-sensing photoreceptors.
    Losi A; Gärtner W
    Photochem Photobiol; 2011; 87(3):491-510. PubMed ID: 21352235
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Photophysics of structurally modified flavin derivatives in the blue-light photoreceptor YtvA: a combined experimental and theoretical study.
    Silva MR; Mansurova M; Gärtner W; Thiel W
    Chembiochem; 2013 Sep; 14(13):1648-61. PubMed ID: 23940057
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Computational characterization of reaction intermediates in the photocycle of the sensory domain of the AppA blue light photoreceptor.
    Khrenova MG; Domratcheva T; Schlichting I; Grigorenko BL; Nemukhin AV
    Photochem Photobiol; 2011; 87(3):564-73. PubMed ID: 21155828
    [TBL] [Abstract][Full Text] [Related]  

  • 8. (TD-)DFT calculation of vibrational and vibronic spectra of riboflavin in solution.
    Klaumünzer B; Kröner D; Saalfrank P
    J Phys Chem B; 2010 Aug; 114(33):10826-34. PubMed ID: 20681576
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Vibrational spectra from atomic fluctuations in dynamics simulations. II. Solvent-induced frequency fluctuations at femtosecond time resolution.
    Schmitz M; Tavan P
    J Chem Phys; 2004 Dec; 121(24):12247-58. PubMed ID: 15606242
    [TBL] [Abstract][Full Text] [Related]  

  • 10. BLUF hydrogen network dynamics and UV/Vis spectra: a combined molecular dynamics and quantum chemical study.
    Götze JP; Greco C; Mitrić R; Bonačić-Koutecký V; Saalfrank P
    J Comput Chem; 2012 Oct; 33(28):2233-42. PubMed ID: 22764067
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Vibrational spectra of phosphate ions in aqueous solution probed by first-principles molecular dynamics.
    VandeVondele J; Tröster P; Tavan P; Mathias G
    J Phys Chem A; 2012 Mar; 116(10):2466-74. PubMed ID: 22352866
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Hydration shell structure and dynamics of curium(III) in aqueous solution: first principles and empirical studies.
    Atta-Fynn R; Bylaska EJ; Schenter GK; de Jong WA
    J Phys Chem A; 2011 May; 115(18):4665-77. PubMed ID: 21500828
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach.
    Barone V; Bloino J; Monti S; Pedone A; Prampolini G
    Phys Chem Chem Phys; 2011 Feb; 13(6):2160-6. PubMed ID: 21127788
    [TBL] [Abstract][Full Text] [Related]  

  • 15. FTIR study on the hydrogen bond structure of a key tyrosine residue in the flavin-binding blue light sensor TePixD from Thermosynechococcus elongatus.
    Takahashi R; Okajima K; Suzuki H; Nakamura H; Ikeuchi M; Noguchi T
    Biochemistry; 2007 Jun; 46(22):6459-67. PubMed ID: 17497893
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. 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]  

  • 18. A conclusive mechanism of the photoinduced reaction cascade in blue light using flavin photoreceptors.
    Sadeghian K; Bocola M; Schütz M
    J Am Chem Soc; 2008 Sep; 130(37):12501-13. PubMed ID: 18722438
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Spectroscopy and photophysics of flavin-related compounds: 3-benzyl-lumiflavin.
    Insińska-Rak M; Sikorska E; Herance JR; Bourdelande JL; Khmelinskii IV; Kubicki M; Prukała W; Machado IF; Komasa A; Ferreira LF; Sikorski M
    Photochem Photobiol Sci; 2005 Jun; 4(6):463-8. PubMed ID: 15920630
    [TBL] [Abstract][Full Text] [Related]  

  • 20. On the photophysics of artificial blue-light photoreceptors: an ab initio study on a flavin-based dye dyad at the level of coupled-cluster response theory.
    Sadeghian K; Schütz M
    J Am Chem Soc; 2007 Apr; 129(13):4068-74. PubMed ID: 17352477
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.