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 *

167 related articles for article (PubMed ID: 31751372)

  • 1. Intramolecular tautomerization of the quercetin molecule due to the proton transfer: QM computational study.
    Brovarets' OO; Hovorun DM
    PLoS One; 2019; 14(11):e0224762. PubMed ID: 31751372
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A new era of the prototropic tautomerism of the quercetin molecule: A QM/QTAIM computational advances.
    Brovarets' OO; Hovorun DM
    J Biomol Struct Dyn; 2020 Oct; 38(16):4774-4800. PubMed ID: 31711364
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Conformational transitions of the quercetin molecule
    Brovarets' OO; Hovorun DM
    J Biomol Struct Dyn; 2020 Jul; 38(10):2865-2883. PubMed ID: 31315531
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Manifestations of intramolecular H-bonds of CH… O and OH… C type in quercetin molecule: Analysis of IR spectra by mean of density functional theory.
    Hovorun DM; Voiteshenko IS; Gorb L
    Spectrochim Acta A Mol Biomol Spectrosc; 2023 Feb; 287(Pt 2):122065. PubMed ID: 36356398
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Novel pathway for mutagenic tautomerization of classical А∙Т DNA base pairs via sequential proton transfer through quasi-orthogonal transition states: A QM/QTAIM investigation.
    Brovarets' OO; Tsiupa KS; Hovorun DM
    PLoS One; 2018; 13(6):e0199044. PubMed ID: 29949602
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Conformational diversity of the quercetin molecule: a quantum-chemical view.
    Brovarets' OO; Hovorun DM
    J Biomol Struct Dyn; 2020 Jul; 38(10):2817-2836. PubMed ID: 31423904
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Aromaticity balance, π-electron cooperativity and H-bonding properties in tautomerism of salicylideneaniline: the quantum theory of atoms in molecules (QTAIM) approach.
    Karabıyık H; Sevinçek R; Petek H; Aygün M
    J Mol Model; 2011 Jun; 17(6):1295-309. PubMed ID: 20820826
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Atomistic understanding of the C·T mismatched DNA base pair tautomerization via the DPT: QM and QTAIM computational approaches.
    Brovarets' OO; Hovorun DM
    J Comput Chem; 2013 Nov; 34(30):2577-90. PubMed ID: 23955922
    [TBL] [Abstract][Full Text] [Related]  

  • 9. DPT tautomerization of the long A∙A Watson-Crick base pair formed by the amino and imino tautomers of adenine: combined QM and QTAIM investigation.
    Brovarets' OO; Zhurakivsky RO; Hovorun DM
    J Mol Model; 2013 Oct; 19(10):4223-37. PubMed ID: 23716175
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Is the DPT tautomerization of the long A·G Watson-Crick DNA base mispair a source of the adenine and guanine mutagenic tautomers? A QM and QTAIM response to the biologically important question.
    Brovarets' OO; Zhurakivsky RO; Hovorun DM
    J Comput Chem; 2014 Mar; 35(6):451-66. PubMed ID: 24382756
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Comprehensive conformational analysis of the nucleoside analogue 2'-beta-deoxy-6-azacytidine by DFT and MP2 calculations.
    Yurenko YP; Zhurakivsky RO; Ghomi M; Samijlenko SP; Hovorun DM
    J Phys Chem B; 2007 Jun; 111(22):6263-71. PubMed ID: 17503799
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The Flow of the Redox Energy in Quercetin during Its Antioxidant Activity in Water.
    Li Z; Moalin M; Zhang M; Vervoort L; Hursel E; Mommers A; Haenen GRMM
    Int J Mol Sci; 2020 Aug; 21(17):. PubMed ID: 32825576
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Excited-state proton transfer through water bridges and structure of hydrogen-bonded complexes in 1H-pyrrolo[3,2-h]quinoline: adiabatic time-dependent density functional theory study.
    Kyrychenko A; Waluk J
    J Phys Chem A; 2006 Nov; 110(43):11958-67. PubMed ID: 17064184
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Design of molecular switching and signaling based on proton transfer in 2-hydroxy Schiff bases: a computational study.
    Abood Hameed S; Alrouby SK; Hilal R
    J Mol Model; 2013 Feb; 19(2):559-69. PubMed ID: 22961622
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Theoretical evidence of barrier-free proton transfer in 7-azaindole-water cluster anions.
    Chen HY; Young PY; Hsu SC
    J Chem Phys; 2009 Apr; 130(16):165101. PubMed ID: 19405633
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Dynamic structures of horse liver alcohol dehydrogenase (HLADH): results of molecular dynamics simulations of HLADH-NAD(+)-PhCH(2)OH, HLADH-NAD(+)-PhCH(2)O(-), and HLADH-NADH-PhCHO.
    Luo J; Bruice TC
    J Am Chem Soc; 2001 Dec; 123(48):11952-9. PubMed ID: 11724603
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Intramolecular double proton transfer from 2-hydroxy-2-iminoacetic acid to 2-amino-2-oxoacetic acid.
    Bankiewicz B; Wojtulewski S; Grabowski SJ
    J Org Chem; 2010 Mar; 75(5):1419-26. PubMed ID: 20136101
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Can tautomerization of the A·T Watson-Crick base pair via double proton transfer provoke point mutations during DNA replication? A comprehensive QM and QTAIM analysis.
    Brovarets OO; Hovorun DM
    J Biomol Struct Dyn; 2014; 32(1):127-54. PubMed ID: 23383960
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Why the tautomerization of the G·C Watson-Crick base pair via the DPT does not cause point mutations during DNA replication? QM and QTAIM comprehensive analysis.
    Brovarets' OO; Hovorun DM
    J Biomol Struct Dyn; 2014; 32(9):1474-99. PubMed ID: 23909623
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Intramolecular excited proton transfer of 1-(1-phenyl-1H-phenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol--a combined experimental and quantum chemical studies.
    Jayabharathi J; Thanikachalam V; Ramanathan P; Arunpandiyan A
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():551-8. PubMed ID: 24291432
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.