BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

242 related articles for article (PubMed ID: 16833342)

  • 41. Hybrid MC/QC simulations of water-assisted proton transfer in nucleosides. Guanosine and its analog acyclovir.
    Markova N; Pejov L; Stoyanova N; Enchev V
    J Biomol Struct Dyn; 2017 May; 35(6):1168-1188. PubMed ID: 27092850
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Systematic study of the tautomerism of uracil induced by proton transfer. Exploration of water stabilization and mutagenicity.
    Hu X; Li H; Liang W; Han S
    J Phys Chem B; 2005 Mar; 109(12):5935-44. PubMed ID: 16851647
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Oxo-hydroxy tautomerism of 5-fluorouracil: water-assisted proton transfer.
    Markova N; Enchev V; Timtcheva I
    J Phys Chem A; 2005 Mar; 109(9):1981-8. PubMed ID: 16833532
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Matrix-isolation study and ab initio calculations of the structure and spectra of hydroxyacetone.
    Sharma A; Reva I; Fausto R
    J Phys Chem A; 2008 Jul; 112(26):5935-46. PubMed ID: 18537231
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Tautomeric equilibria of 5-fluorouracil anionic species in water.
    Markova N; Enchev V; Ivanova G
    J Phys Chem A; 2010 Dec; 114(50):13154-62. PubMed ID: 21090740
    [TBL] [Abstract][Full Text] [Related]  

  • 46. The structure of the protonated adenine dimer by infrared multiple photon dissociation spectroscopy and electronic structure calculations.
    Rajabi K; Theel K; Gillis EA; Beran G; Fridgen TD
    J Phys Chem A; 2009 Jul; 113(28):8099-107. PubMed ID: 19548662
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Density functional theory and isodesmic reaction based prediction of four stepwise protonation constants, as log KH(n), for nitrilotriacetic acid. The importance of a kind and protonated form of a reference molecule used.
    Govender KK; Cukrowski I
    J Phys Chem A; 2010 Feb; 114(4):1868-78. PubMed ID: 20063850
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Proton hydration in aqueous solution: Fourier transform infrared studies of HDO spectra.
    Smiechowski M; Stangret J
    J Chem Phys; 2006 Nov; 125(20):204508. PubMed ID: 17144716
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Theoretical studies on the water-assisted hydrolysis of N,N-dimethyl-N'-(2',3'-dideoxy-3'-thiacytidine) formamidine with three water molecules.
    Gao JY; Zeng Y; Zhang CH; Xue Y
    J Phys Chem A; 2009 Jan; 113(1):325-31. PubMed ID: 19061330
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Structure and bonding of Ag(I)-DNA base complexes and Ag(I)-adenine-cytosine mispairs: an ab initio study.
    Schreiber M; González L
    J Comput Chem; 2007 Nov; 28(14):2299-308. PubMed ID: 17471490
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Molecular dynamics simulations of liquid methanol and methanol-water mixtures with polarizable models.
    Yu H; Geerke DP; Liu H; van Gunsteren WF
    J Comput Chem; 2006 Oct; 27(13):1494-504. PubMed ID: 16838298
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Monte Carlo simulations of the solution structure of simple alcohols in water-acetonitrile mixtures.
    Nagy PI; Erhardt PW
    J Phys Chem B; 2005 Mar; 109(12):5855-72. PubMed ID: 16851638
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Thermosolvatochromism of betaine dyes revisited: theoretical calculations of the concentrations of alcohol-water hydrogen-bonded species and application to solvation in aqueous alcohols.
    Bastos EL; Silva PL; El Seoud OA
    J Phys Chem A; 2006 Aug; 110(34):10287-95. PubMed ID: 16928120
    [TBL] [Abstract][Full Text] [Related]  

  • 54. An exploration of mechanisms for the transformation of 8-oxoguanine to guanidinohydantoin and spiroiminodihydantoin by density functional theory.
    Munk BH; Burrows CJ; Schlegel HB
    J Am Chem Soc; 2008 Apr; 130(15):5245-56. PubMed ID: 18355018
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Solvation shell structure of cyclooctylpyranone in water solvent and its comparative structure, dynamics and dipole moment in HIV protease.
    Arul Murugan N; Chandra Jha P; Agren H
    Phys Chem Chem Phys; 2009 Aug; 11(30):6482-9. PubMed ID: 19809680
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Ab initio protein structure prediction with force field parameters derived from water-phase quantum chemical calculation.
    Katagiri D; Fuji H; Neya S; Hoshino T
    J Comput Chem; 2008 Sep; 29(12):1930-44. PubMed ID: 18366016
    [TBL] [Abstract][Full Text] [Related]  

  • 57. On the mechanism of the mutagenic action of 5-bromouracil: a DFT study of uracil and 5-bromouracil in a water cluster.
    Danilov VI; van Mourik T; Kurita N; Wakabayashi H; Tsukamoto T; Hovorun DM
    J Phys Chem A; 2009 Mar; 113(11):2233-5. PubMed ID: 19216504
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Charges of phosphate groups. A role in stabilization of 2'-deoxyribonucleotides. A DFT investigation.
    Gorb L; Shishkin O; Leszczynski J
    J Biomol Struct Dyn; 2005 Feb; 22(4):441-54. PubMed ID: 15588107
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Density functional theory study on carbon dioxide absorption into aqueous solutions of 2-amino-2-methyl-1-propanol using a continuum solvation model.
    Yamada H; Matsuzaki Y; Higashii T; Kazama S
    J Phys Chem A; 2011 Apr; 115(14):3079-86. PubMed ID: 21413768
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Direct ab initio dynamics calculations for rates and the kinetic isotope effects of multiproton transfer in ClONO2 + HCl --> HNO3 + Cl2 reactions with water clusters: breakdown of the rule of the geometric mean.
    Nam K; Kim Y
    J Chem Phys; 2009 Apr; 130(14):144310. PubMed ID: 19368448
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 13.