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 *

165 related articles for article (PubMed ID: 15558660)

  • 1. Probing NMR parameters, structure and dynamics of 5-nitroimidazole derivatives. Density functional study of prototypical radiosensitizers.
    Ramalho TC; Bühl M
    Magn Reson Chem; 2005 Feb; 43(2):139-46. PubMed ID: 15558660
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Thermal and solvent effects on the NMR and UV parameters of some bioreductive drugs.
    Ramalho TC; Taft CA
    J Chem Phys; 2005 Aug; 123(5):054319. PubMed ID: 16108651
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Simulation of 59Co NMR chemical shifts in aqueous solution.
    Bühl M; Grigoleit S; Kabrede H; Mauschick FT
    Chemistry; 2005 Dec; 12(2):477-88. PubMed ID: 16196064
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Solvent effects on NMR isotropic shielding constants. a comparison between explicit polarizable discrete and continuum approaches.
    Aidas K; Møgelhøj A; Kjaer H; Nielsen CB; Mikkelsen KV; Ruud K; Christiansen O; Kongsted J
    J Phys Chem A; 2007 May; 111(20):4199-210. PubMed ID: 17474726
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Computational studies of 13C NMR chemical shifts of saccharides.
    Taubert S; Konschin H; Sundholm D
    Phys Chem Chem Phys; 2005 Jul; 7(13):2561-9. PubMed ID: 16189565
    [TBL] [Abstract][Full Text] [Related]  

  • 6. NMR solvent shifts of adenine in aqueous solution from hybrid QM/MM molecular dynamics simulations.
    Komin S; Gossens C; Tavernelli I; Rothlisberger U; Sebastiani D
    J Phys Chem B; 2007 May; 111(19):5225-32. PubMed ID: 17458990
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.
    Marenich AV; Cramer CJ; Truhlar DG
    J Phys Chem B; 2009 May; 113(18):6378-96. PubMed ID: 19366259
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Density functional theory study of uranium(VI) aquo chloro complexes in aqueous solution.
    Bühl M; Sieffert N; Golubnychiy V; Wipff G
    J Phys Chem A; 2008 Mar; 112(11):2428-36. PubMed ID: 18269268
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Density-functional computation of (99)Tc NMR chemical shifts.
    Bühl M; Golubnychiy V
    Magn Reson Chem; 2008; 46 Suppl 1():S36-44. PubMed ID: 18855338
    [TBL] [Abstract][Full Text] [Related]  

  • 10. How to model solvent effects on molecular properties using quantum chemistry? Insights from polarizable discrete or continuum solvation models.
    Kongsted J; Mennucci B
    J Phys Chem A; 2007 Oct; 111(39):9890-900. PubMed ID: 17845016
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A coupled Car-Parrinello molecular dynamics and EXAFS data analysis investigation of aqueous Co(2+).
    Spezia R; Duvail M; Vitorge P; Cartailler T; Tortajada J; Chillemi G; D'Angelo P; Gaigeot MP
    J Phys Chem A; 2006 Dec; 110(48):13081-8. PubMed ID: 17134169
    [TBL] [Abstract][Full Text] [Related]  

  • 12. NMR solvent shifts of acetonitrile from frozen density embedding calculations.
    Bulo RE; Jacob CR; Visscher L
    J Phys Chem A; 2008 Mar; 112(12):2640-7. PubMed ID: 18302351
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Solvent effects on the UV (n --> pi*) and NMR (13C and 17O) spectra of acetone in aqueous solution. An integrated car-parrinello and DFT/PCM approach.
    Crescenzi O; Pavone M; De Angelis F; Barone V
    J Phys Chem B; 2005 Jan; 109(1):445-53. PubMed ID: 16851035
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects.
    Standara S; Malináková K; Marek R; Marek J; Hocek M; Vaara J; Straka M
    Phys Chem Chem Phys; 2010 May; 12(19):5126-39. PubMed ID: 20445915
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Theoretical evaluation of adiabatic and vertical electron affinity of some radiosensitizers in solution using FEP, ab initio and DFT methods.
    Ramalho TC; de Alencastro RB; La-Scalea MA; Figueroa-Villar JD
    Biophys Chem; 2004 Aug; 110(3):267-79. PubMed ID: 15228963
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Quantum chemical and nuclear magnetic resonance spectral studies on molecular properties and electronic structure of berberine and berberrubine.
    Tripathi AN; Chauhan L; Thankachan PP; Barthwal R
    Magn Reson Chem; 2007 Aug; 45(8):647-55. PubMed ID: 17559166
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Peroxovanadate imidazole complexes as catalysts for olefin epoxidation: density functional study of dynamics, 51V NMR chemical shifts, and mechanism.
    Bühl M; Schurhammer R; Imhof P
    J Am Chem Soc; 2004 Mar; 126(10):3310-20. PubMed ID: 15012162
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structure of the alanine hydration shell as probed by NMR chemical shifts and indirect spin-spin coupling.
    Dracínský M; Kaminský J; Bour P
    J Phys Chem B; 2009 Nov; 113(44):14698-707. PubMed ID: 19863140
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Solvent effects and dynamic averaging of 195Pt NMR shielding in cisplatin derivatives.
    Truflandier LA; Sutter K; Autschbach J
    Inorg Chem; 2011 Mar; 50(5):1723-32. PubMed ID: 21204547
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The impact of the pi-electron conjugation on (15)N, (13)C and (1)H NMR chemical shifts in push-pull benzothiazolium salts. Experimental and theoretical study.
    Hrobárik P; Horváth B; Sigmundová I; Zahradník P; Malkina OL
    Magn Reson Chem; 2007 Nov; 45(11):942-53. PubMed ID: 17924356
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.