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856 related items for PubMed ID: 17539033

  • 1. Progress in the understanding of drug-receptor interactions, part 2: experimental and theoretical electrostatic moments and interaction energies of an angiotensin II receptor antagonist (C30H30N6(O)3S).
    Soave R, Barzaghi M, Destro R.
    Chemistry; 2007; 13(24):6942-56. PubMed ID: 17539033
    [Abstract] [Full Text] [Related]

  • 2. Progress in the understanding of drug-receptor interactions, Part 1: experimental charge-density study of an angiotensin II receptor antagonist (C30H30N6O3S) at T = 17 K.
    Destro R, Soave R, Barzaghi M, Lo Presti L.
    Chemistry; 2005 Aug 05; 11(16):4621-34. PubMed ID: 15915518
    [Abstract] [Full Text] [Related]

  • 3. On the interplay between CH...O and OH...O interactions in determining crystal packing and molecular conformation: an experimental and theoretical charge density study of the fungal secondary metabolite austdiol (C12H12O5).
    Lo Presti L, Soave R, Destro R.
    J Phys Chem B; 2006 Mar 30; 110(12):6405-14. PubMed ID: 16553460
    [Abstract] [Full Text] [Related]

  • 4. Physicochemical properties of zwitterionic L- and DL-alanine crystals from their experimental and theoretical charge densities.
    Destro R, Soave R, Barzaghi M.
    J Phys Chem B; 2008 Apr 24; 112(16):5163-74. PubMed ID: 18373373
    [Abstract] [Full Text] [Related]

  • 5. The nature of the chemical bond revisited: an energy-partitioning analysis of nonpolar bonds.
    Kovács A, Esterhuysen C, Frenking G.
    Chemistry; 2005 Mar 04; 11(6):1813-25. PubMed ID: 15672434
    [Abstract] [Full Text] [Related]

  • 6. Experimental and theoretical electron density study of estrone.
    Zhurova EA, Matta CF, Wu N, Zhurov VV, Pinkerton AA.
    J Am Chem Soc; 2006 Jul 12; 128(27):8849-61. PubMed ID: 16819879
    [Abstract] [Full Text] [Related]

  • 7. Charge density and electrostatic potential analyses in paracetamol.
    Bouhmaida N, Bonhomme F, Guillot B, Jelsch C, Ghermani NE.
    Acta Crystallogr B; 2009 Jun 12; 65(Pt 3):363-74. PubMed ID: 19461147
    [Abstract] [Full Text] [Related]

  • 8. 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 05; 129(48):15013-21. PubMed ID: 17994745
    [Abstract] [Full Text] [Related]

  • 9. 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 05; 62(Pt 4):612-26. PubMed ID: 16840811
    [Abstract] [Full Text] [Related]

  • 10. Chemical bonding and structure-reactivity correlation in Meldrum's acid: a combined experimental and theoretical electron density study.
    Chopra D, Zhurov VV, Zhurova EA, Pinkerton AA.
    J Org Chem; 2009 Mar 20; 74(6):2389-95. PubMed ID: 19231871
    [Abstract] [Full Text] [Related]

  • 11. A new force field (ECEPP-05) for peptides, proteins, and organic molecules.
    Arnautova YA, Jagielska A, Scheraga HA.
    J Phys Chem B; 2006 Mar 16; 110(10):5025-44. PubMed ID: 16526746
    [Abstract] [Full Text] [Related]

  • 12. The experimental electron density in polymorphs A and B of the anti-ulcer drug famotidine.
    Overgaard J, Hibbs DE.
    Acta Crystallogr A; 2004 Sep 16; 60(Pt 5):480-7. PubMed ID: 15477688
    [Abstract] [Full Text] [Related]

  • 13. Charge density and electrostatic interactions of fidarestat, an inhibitor of human aldose reductase.
    Fournier B, Bendeif el-E, Guillot B, Podjarny A, Lecomte C, Jelsch C.
    J Am Chem Soc; 2009 Aug 12; 131(31):10929-41. PubMed ID: 19594152
    [Abstract] [Full Text] [Related]

  • 14. Experimental charge-density study of paracetamol--multipole refinement in the presence of a disordered methyl group.
    Bak JM, Dominiak PM, Wilson CC, Woźniak K.
    Acta Crystallogr A; 2009 Nov 12; 65(Pt 6):490-500. PubMed ID: 19844032
    [Abstract] [Full Text] [Related]

  • 15. Experimental/theoretical electrostatic properties of a styrylquinoline-type HIV-1 integrase inhibitor and its progenitors.
    Firley D, Courcot B, Gillet JM, Fraisse B, Zouhiri F, Desmaële D, d'Angelo J, Ghermani NE.
    J Phys Chem B; 2006 Jan 12; 110(1):537-47. PubMed ID: 16471566
    [Abstract] [Full Text] [Related]

  • 16. The experimental and theoretical QTAIMC study of the atomic and molecular interactions in dinitrogen tetroxide.
    Tsirelson VG, Shishkina AV, Stash AI, Parsons S.
    Acta Crystallogr B; 2009 Oct 12; 65(Pt 5):647-58. PubMed ID: 19767687
    [Abstract] [Full Text] [Related]

  • 17.
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  • 18. Molecular and crystal properties of ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities.
    Tsirelson VG, Stash AI, Potemkin VA, Rykounov AA, Shutalev AD, Zhurova EA, Zhurov VV, Pinkerton AA, Gurskaya GV, Zavodnik VE.
    Acta Crystallogr B; 2006 Aug 12; 62(Pt 4):676-88. PubMed ID: 16840817
    [Abstract] [Full Text] [Related]

  • 19. Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.
    Mebs S, Grabowsky S, Förster D, Kickbusch R, Hartl M, Daemen LL, Morgenroth W, Luger P, Paulus B, Lentz D.
    J Phys Chem A; 2010 Sep 23; 114(37):10185-96. PubMed ID: 20726618
    [Abstract] [Full Text] [Related]

  • 20. Reassessment of large dipole moment enhancements in crystals: a detailed experimental and theoretical charge density analysis of 2-methyl-4-nitroaniline.
    Whitten AE, Turner P, Klooster WT, Piltz RO, Spackman MA.
    J Phys Chem A; 2006 Jul 20; 110(28):8763-76. PubMed ID: 16836439
    [Abstract] [Full Text] [Related]

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