BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

338 related articles for article (PubMed ID: 19222188)

  • 1. Role of dynamic flexibility in computing solvatochromic properties of dye-solvent systems: o-betaine in water.
    Murugan NA; Agren H
    J Phys Chem A; 2009 Mar; 113(11):2572-7. PubMed ID: 19222188
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Solvent dependence on bond length alternation and charge distribution in phenol blue: a Car-Parrinello molecular dynamics investigation.
    Murugan NA; Rinkevicius Z; Agren H
    J Phys Chem A; 2009 Apr; 113(17):4833-9. PubMed ID: 19341255
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Solvatochromic shift of phenol blue in water from a combined Car-Parrinello molecular dynamics hybrid quantum mechanics-molecular mechanics and ZINDO approach.
    Murugan NA; Jha PC; Rinkevicius Z; Ruud K; Agren H
    J Chem Phys; 2010 Jun; 132(23):234508. PubMed ID: 20572722
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Modeling solvatochromism of a quinolinium betaine dye in water solvent using sequential hybrid QM/MM and semicontinuum approach.
    Murugan NA
    J Phys Chem B; 2011 Feb; 115(5):1056-61. PubMed ID: 21218838
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Solvatochromism of a novel betaine dye derived from purine.
    Masternak A; Wenska G; Milecki J; Skalski B; Franzen S
    J Phys Chem A; 2005 Feb; 109(5):759-66. PubMed ID: 16838944
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Modeling the structure and absorption spectra of stilbazolium merocyanine in polar and nonpolar solvents using hybrid QM/MM techniques.
    Murugan NA; Kongsted J; Rinkevicius Z; Aidas K; Ågren H
    J Phys Chem B; 2010 Oct; 114(42):13349-57. PubMed ID: 20925401
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Polarization and spectral shift of benzophenone in supercritical water.
    Fonseca TL; Georg HC; Coutinho K; Canuto S
    J Phys Chem A; 2009 Apr; 113(17):5112-8. PubMed ID: 19323549
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Solvent dependence on conformational transition, dipole moment, and molecular geometry of 1,2-dichloroethane: insight from Car-Parrinello molecular dynamics calculations.
    Murugan NA; Hugosson HW; Agren H
    J Phys Chem B; 2008 Nov; 112(47):14673-7. PubMed ID: 18959438
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A Monte Carlo-quantum mechanics study of the lowest n-pi* and pi-pi* states of uracil in water.
    Ludwig V; Coutinho K; Canuto S
    Phys Chem Chem Phys; 2007 Sep; 9(35):4907-12. PubMed ID: 17912421
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Solvent dependence of conformational distribution, molecular geometry, and electronic structure in adenosine.
    Murugan NA; Hugosson HW
    J Phys Chem B; 2009 Jan; 113(4):1012-21. PubMed ID: 19123823
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Solvent dependence of structure, charge distribution, and absorption spectrum in the photochromic merocyanine-spiropyran pair.
    Murugan NA; Chakrabarti S; Ågren H
    J Phys Chem B; 2011 Apr; 115(14):4025-32. PubMed ID: 21417244
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Investigations into conformational transitions and solvation structure of a 7-piperidino-5,9-methanobenzo[8] annulene in water.
    Murugan NA; Hugosson HW
    Phys Chem Chem Phys; 2008 Oct; 10(40):6135-43. PubMed ID: 18846303
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Solvent effects on the UV-visible absorption spectrum of benzophenone in water: a combined Monte Carlo quantum mechanics study including solute polarization.
    Georg HC; Coutinho K; Canuto S
    J Chem Phys; 2007 Jan; 126(3):034507. PubMed ID: 17249884
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 1,2-dichloroethane in haloalkane dehalogenase protein and in water solvent: a case study of the confinement effect on structural and dynamical properties.
    Murugan NA; Agren H
    J Phys Chem B; 2009 Mar; 113(11):3257-63. PubMed ID: 19235993
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Photoluminescence of 1-phenyl,3-methyl pyrazoloquinoline derivatives.
    Koścień E; Gondek E; Jarosz B; Danel A; Nizioł J; Kityk AV
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Apr; 72(3):582-90. PubMed ID: 19091627
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Photophysical properties of 2-amino-9,10-anthraquinone: evidence for structural changes in the molecule with solvent polarity.
    Dahiya P; Kumbhakar M; Maity DK; Mukherjee T; Mittal JP; Tripathi AB; Chattopadhyay N; Pal H
    Photochem Photobiol Sci; 2005 Jan; 4(1):100-5. PubMed ID: 15616699
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Probing supercritical water with the n-pi* transition of acetone: a Monte Carlo/quantum mechanics study.
    Fonseca TL; Coutinho K; Canuto S
    J Chem Phys; 2007 Jan; 126(3):034508. PubMed ID: 17249885
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Ab initio study of the anomalous solvatochromic behavior of large betaines.
    Pinheiro JM; de Melo CP
    J Phys Chem A; 2011 Jul; 115(27):7994-8002. PubMed ID: 21678926
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Consequences of strong coupling between solvation and electronic structure in the excited state of a betaine dye.
    Ishida T; Rossky PJ
    J Phys Chem B; 2008 Sep; 112(36):11353-60. PubMed ID: 18707072
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 17.