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 *

215 related articles for article (PubMed ID: 14632456)

  • 21. Validation of critical points in the electron density as descriptors by building quantitative structure-property relationships for the atomic polar tensor.
    Buttingsrud B; Alsberg BK; Astrand PO
    J Comput Chem; 2007 Oct; 28(13):2130-9. PubMed ID: 17464968
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Electronegativities from core-ionization energies: electronegativities of SF5 and CF3.
    True JE; Thomas TD; Winter RW; Gard GL
    Inorg Chem; 2003 Jul; 42(14):4437-41. PubMed ID: 12844318
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Atomic dipole moments calculated using analytical molecular second-moment gradients.
    Solheim H; Ruud K; Astrand PO
    J Chem Phys; 2004 Jun; 120(22):10368-78. PubMed ID: 15268064
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Comparative QSAR- and fragments distribution analysis of drugs, druglikes, metabolic substances, and antimicrobial compounds.
    Karakoc E; Sahinalp SC; Cherkasov A
    J Chem Inf Model; 2006; 46(5):2167-82. PubMed ID: 16995747
    [TBL] [Abstract][Full Text] [Related]  

  • 25. A new scale of electronegativity based on electrophilicity index.
    Noorizadeh S; Shakerzadeh E
    J Phys Chem A; 2008 Apr; 112(15):3486-91. PubMed ID: 18331007
    [TBL] [Abstract][Full Text] [Related]  

  • 26. 3D and quantum QSAR of non-benzodiazepine compounds.
    Pasha FA; Muddassar M; Cho SJ; Ahmad K; Beg Y
    Eur J Med Chem; 2008 Nov; 43(11):2361-72. PubMed ID: 18346822
    [TBL] [Abstract][Full Text] [Related]  

  • 27. A new force field (ECEPP-05) for peptides, proteins, and organic molecules.
    Arnautova YA; Jagielska A; Scheraga HA
    J Phys Chem B; 2006 Mar; 110(10):5025-44. PubMed ID: 16526746
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Studies of trypanocidal (inhibitory) power of naphthoquinones: evaluation of quantum chemical molecular descriptors for structure-activity relationships.
    Paulino M; Alvareda EM; Denis PA; Barreiro EJ; Sperandio da Silva GM; Dubin M; Gastellú C; Aguilera S; Tapia O
    Eur J Med Chem; 2008 Oct; 43(10):2238-46. PubMed ID: 18276039
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Charge-dependent cavity radii for an accurate dielectric continuum model of solvation with emphasis on ions: aqueous solutes with oxo, hydroxo, amino, methyl, chloro, bromo, and fluoro functionalities.
    Ginovska B; Camaioni DM; Dupuis M; Schwerdtfeger CA; Gil Q
    J Phys Chem A; 2008 Oct; 112(42):10604-13. PubMed ID: 18816107
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Iterative fluctuation charge model: a new variable charge molecular dynamics method.
    Ma Y; Garofalini SH
    J Chem Phys; 2006 Jun; 124(23):234102. PubMed ID: 16821902
    [TBL] [Abstract][Full Text] [Related]  

  • 31. An application of the QM-QSAR method to predict and rationalize lipophilicity of simple monomers.
    Holder AJ; Ye L; Yourtee DM; Agarwal A; Eick JD; Chappelow CC
    Dent Mater; 2005 Jul; 21(7):591-8. PubMed ID: 15978267
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Comprehensive study of density functional theory based properties for group 14 atoms and functional groups, -XY3 (X = C, Si, Ge, Sn, Pb, Element 114; Y = CH3, H, F, Cl, Br, I, At).
    Giju KT; De Proft F; Geerlings P
    J Phys Chem A; 2005 Mar; 109(12):2925-36. PubMed ID: 16833611
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Redistributed charge and dipole schemes for combined quantum mechanical and molecular mechanical calculations.
    Lin H; Truhlar DG
    J Phys Chem A; 2005 May; 109(17):3991-4004. PubMed ID: 16833721
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Periodic trends and index of boron LEwis acidity.
    Plumley JA; Evanseck JD
    J Phys Chem A; 2009 May; 113(20):5985-92. PubMed ID: 19388700
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Structure-activity relationships for the degradation reaction of 1-beta-O-acyl glucuronides. Part 2: Electronic and steric descriptors predicting the reactivity of 1-beta-O-acyl glucuronides derived from benzoic acids.
    Yoshioka T; Baba A
    Chem Res Toxicol; 2009 Sep; 22(9):1559-69. PubMed ID: 19670844
    [TBL] [Abstract][Full Text] [Related]  

  • 36. A group electronegativity equalization scheme including external potential effects.
    Leyssens T; Geerlings P; Peeters D
    J Phys Chem A; 2006 Jul; 110(28):8872-9. PubMed ID: 16836451
    [TBL] [Abstract][Full Text] [Related]  

  • 37. An atomic charge-charge flux-dipole flux atom-in-molecule decomposition for molecular dipole-moment derivatives and infrared fundamental intensities.
    Haiduke RL; Bruns RE
    J Phys Chem A; 2005 Mar; 109(11):2680-8. PubMed ID: 16833574
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Accuracy of free energies of hydration using CM1 and CM3 atomic charges.
    Udier-Blagović M; Morales De Tirado P; Pearlman SA; Jorgensen WL
    J Comput Chem; 2004 Aug; 25(11):1322-32. PubMed ID: 15185325
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Local hardness equalization: exploiting the ambiguity.
    Ayers PW; Parr RG
    J Chem Phys; 2008 May; 128(18):184108. PubMed ID: 18532800
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Quantitative structure-activity relationship for cyclic imide derivatives of protoporphyrinogen oxidase inhibitors: a study of quantum chemical descriptors from density functional theory.
    Wan J; Zhang L; Yang G; Zhan CG
    J Chem Inf Comput Sci; 2004; 44(6):2099-105. PubMed ID: 15554680
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 11.