BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

371 related articles for article (PubMed ID: 20077531)

  • 1. Universal features of the electron density distribution in hydrogen-bonding regions: a comprehensive study involving H...X (X=H, C, N, O, F, S, Cl, pi) interactions.
    Mata I; Alkorta I; Molins E; Espinosa E
    Chemistry; 2010 Feb; 16(8):2442-52. PubMed ID: 20077531
    [TBL] [Abstract][Full Text] [Related]  

  • 2. The structure and chemical bonding in the N(2)-CuX and N(2)...XCu (X = F, Cl, Br) systems studied by means of the molecular orbital and Quantum Chemical Topology methods.
    Kisowska K; Berski S; Latajka Z
    J Comput Chem; 2008 Dec; 29(16):2677-92. PubMed ID: 18484638
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Binding of genistein to the estrogen receptor based on an experimental electron density study.
    Yearley EJ; Zhurova EA; Zhurov VV; Pinkerton AA
    J Am Chem Soc; 2007 Dec; 129(48):15013-21. PubMed ID: 17994745
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Topological analysis of the electron density distribution in perturbed systems. I. Effect of charge on the bond properties of hydrogen fluoride.
    Espinosa E; Alkorta I; Mata I; Molins E
    J Phys Chem A; 2005 Jul; 109(29):6532-9. PubMed ID: 16833999
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis.
    Munshi P; Guru Row TN
    Acta Crystallogr B; 2006 Aug; 62(Pt 4):612-26. PubMed ID: 16840811
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Exploring the lower limit in hydrogen bonds: analysis of weak C-H...O and C-H...pi interactions in substituted coumarins from charge density analysis.
    Munshi P; Guru Row TN
    J Phys Chem A; 2005 Feb; 109(4):659-72. PubMed ID: 16833393
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Electronic properties of multifurcated bent hydrogen bonds CH3...Y and CH2...Y.
    Li AY; Yan XH
    Phys Chem Chem Phys; 2007 Dec; 9(47):6263-71. PubMed ID: 18046475
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Experimental and theoretical electron density study of estrone.
    Zhurova EA; Matta CF; Wu N; Zhurov VV; Pinkerton AA
    J Am Chem Soc; 2006 Jul; 128(27):8849-61. PubMed ID: 16819879
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Sulfur X-ray absorption and vibrational spectroscopic study of sulfur dioxide, sulfite, and sulfonate solutions and of the substituted sulfonate ions X3CSO3- (X = H, Cl, F).
    Risberg ED; Eriksson L; Mink J; Pettersson LG; Skripkin MY; Sandström M
    Inorg Chem; 2007 Oct; 46(20):8332-48. PubMed ID: 17784748
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Experimental and theoretical charge density distribution in two ternary cobalt(III) complexes of aromatic amino acids.
    Overgaard J; Waller MP; Piltz R; Platts JA; Emseis P; Leverett P; Williams PA; Hibbs DE
    J Phys Chem A; 2007 Oct; 111(40):10123-33. PubMed ID: 17877334
    [TBL] [Abstract][Full Text] [Related]  

  • 11. An MP2 and DFT study of heterocyclic hydrogen complexes CnHmY-HX with n=2, m=4 or 5, Y=O, S or N and X=F or Cl.
    Oliveira BG; Santos EC; Duarte EM; Araújo RC; Ramos MN; Carvalho AB
    Spectrochim Acta A Mol Biomol Spectrosc; 2004 Jul; 60(8-9):1883-7. PubMed ID: 15248964
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Theoretical analysis based on X-H bonding strength and electronic properties in red- and blue-shifting hydrogen-bonded X-H···π complexes.
    Donoso-Tauda O; Jaque P; Santos JC
    Phys Chem Chem Phys; 2011 Jan; 13(4):1552-9. PubMed ID: 21116561
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Theoretical study of binding interactions and vibrational Raman spectra of water in hydrogen-bonded anionic complexes: (H2O)n- (n = 2 and 3), H2O...X- (X = F, Cl, Br, and I), and H2O...M- (M = Cu, Ag, and Au).
    Wu DY; Duan S; Liu XM; Xu YC; Jiang YX; Ren B; Xu X; Lin SH; Tian ZQ
    J Phys Chem A; 2008 Feb; 112(6):1313-21. PubMed ID: 18215023
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ab initio investigation of the complexes between bromobenzene and several electron donors: some insights into the magnitude and nature of halogen bonding interactions.
    Lu YX; Zou JW; Wang YH; Jiang YJ; Yu QS
    J Phys Chem A; 2007 Oct; 111(42):10781-8. PubMed ID: 17918810
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Nature of the N-H...S hydrogen bond.
    Biswal HS; Wategaonkar S
    J Phys Chem A; 2009 Nov; 113(46):12763-73. PubMed ID: 19831376
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Molecular structure and conformational composition of 1,3-dihydroxyacetone studied by combined analysis of gas-phase electron diffraction data, rotational constants, and results of theoretical calculations. Ideal gas thermodynamic properties of 1,3-dihydroxyacetone.
    Dorofeeva OV; Vogt N; Vogt J; Popik MV; Rykov AN; Vilkov LV
    J Phys Chem A; 2007 Jul; 111(28):6434-42. PubMed ID: 17595068
    [TBL] [Abstract][Full Text] [Related]  

  • 17. From weak interactions to covalent bonds: a continuum in the complexes of 1,8-bis(dimethylamino)naphthalene.
    Mallinson PR; Smith GT; Wilson CC; Grech E; Wozniak K
    J Am Chem Soc; 2003 Apr; 125(14):4259-70. PubMed ID: 12670248
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Topological analysis and charge density studies of an alpha-diimine macrocyclic complex of cobalt(II)--a combined experimental and theoretical study.
    Lee JJ; Lee GH; Wang Y
    Chemistry; 2002 Apr; 8(8):1821-32. PubMed ID: 12007092
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An experimental (120 K) and theoretical electron-density study of KMnO4 and KClO4.
    Marabello D; Bianchi R; Gervasio G; Cargnoni F
    Acta Crystallogr A; 2004 Sep; 60(Pt 5):494-501. PubMed ID: 15477690
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Supramolecular silanol chemistry in the gas phase. Topological (AIM) and population (NBO) analyses of hydrogen-bonded complexes between H3SiOH and selected O- and N-acceptor molecules.
    Beckmann J; Grabowsky S
    J Phys Chem A; 2007 Mar; 111(10):2011-9. PubMed ID: 17305322
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 19.