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483 related items for PubMed ID: 17641434

  • 1. Accurate charge density of the tripeptide Ala-Pro-Ala with the maximum entropy method (MEM): influence of data resolution.
    Hofmann A, Kalinowski R, Luger P, van Smaalen S.
    Acta Crystallogr B; 2007 Aug; 63(Pt 4):633-43. PubMed ID: 17641434
    [Abstract] [Full Text] [Related]

  • 2. Accurate charge density of trialanine: a comparison of the multipole formalism and the maximum entropy method (MEM).
    Hofmann A, Netzel J, van Smaalen S.
    Acta Crystallogr B; 2007 Apr; 63(Pt 2):285-95. PubMed ID: 17374939
    [Abstract] [Full Text] [Related]

  • 3. Electron densities by the maximum entropy method (MEM) for various types of prior densities: a case study on three amino acids and a tripeptide.
    Prathapa SJ, Mondal S, van Smaalen S.
    Acta Crystallogr B Struct Sci Cryst Eng Mater; 2013 Apr; 69(Pt 2):203-13. PubMed ID: 23719707
    [Abstract] [Full Text] [Related]

  • 4. Application of maximum-entropy maps in the accurate refinement of a putative acylphosphatase using 1.3 A X-ray diffraction data.
    Nishibori E, Nakamura T, Arimoto M, Aoyagi S, Ago H, Miyano M, Ebisuzaki T, Sakata M.
    Acta Crystallogr D Biol Crystallogr; 2008 Mar; 64(Pt 3):237-47. PubMed ID: 18323618
    [Abstract] [Full Text] [Related]

  • 5. Atomic and bond topological properties of the tripeptide L-alanyl-L-alanyl-L-alanine based on its experimental charge density obtained at 20 K.
    Rödel E, Messerschmidt M, Dittrich B, Luger P.
    Org Biomol Chem; 2006 Feb 07; 4(3):475-81. PubMed ID: 16446805
    [Abstract] [Full Text] [Related]

  • 6. Charge-density study on cyclosporine A.
    Johnas SK, Dittrich B, Meents A, Messerschmidt M, Weckert EF.
    Acta Crystallogr D Biol Crystallogr; 2009 Mar 07; 65(Pt 3):284-93. PubMed ID: 19237751
    [Abstract] [Full Text] [Related]

  • 7. Improving the scattering-factor formalism in protein refinement: application of the University at Buffalo Aspherical-Atom Databank to polypeptide structures.
    Volkov A, Messerschmidt M, Coppens P.
    Acta Crystallogr D Biol Crystallogr; 2007 Feb 07; 63(Pt 2):160-70. PubMed ID: 17242509
    [Abstract] [Full Text] [Related]

  • 8. Topological properties of hydrogen bonds and covalent bonds from charge densities obtained by the maximum entropy method (MEM).
    Netzel J, van Smaalen S.
    Acta Crystallogr B; 2009 Oct 07; 65(Pt 5):624-38. PubMed ID: 19767685
    [Abstract] [Full Text] [Related]

  • 9. Charge-density analysis of a protein structure at subatomic resolution: the human aldose reductase case.
    Guillot B, Jelsch C, Podjarny A, Lecomte C.
    Acta Crystallogr D Biol Crystallogr; 2008 May 07; 64(Pt 5):567-88. PubMed ID: 18453693
    [Abstract] [Full Text] [Related]

  • 10. Multipole correction of atomic monopole models of molecular charge distribution. I. Peptides.
    Sokalski WA, Keller DA, Ornstein RL, Rein R.
    J Comput Chem; 1993 May 07; 14(8):970-6. PubMed ID: 11539835
    [Abstract] [Full Text] [Related]

  • 11. Experimental dynamic electron densities of multipole models at different temperatures.
    Mondal S, Prathapa SJ, van Smaalen S.
    Acta Crystallogr A; 2012 Sep 07; 68(Pt 5):568-81. PubMed ID: 22893240
    [Abstract] [Full Text] [Related]

  • 12. Modulation functions of incommensurately modulated Cr2P2O7 studied by the maximum entropy method (MEM).
    Li L, Schönleber A, van Smaalen S.
    Acta Crystallogr B; 2010 Apr 07; 66(Pt 2):130-40. PubMed ID: 20305346
    [Abstract] [Full Text] [Related]

  • 13. On the possibility of the observation of valence electron density for individual bonds in proteins in conventional difference maps.
    Afonine PV, Lunin VY, Muzet N, Urzhumtsev A.
    Acta Crystallogr D Biol Crystallogr; 2004 Feb 07; 60(Pt 2):260-74. PubMed ID: 14747702
    [Abstract] [Full Text] [Related]

  • 14. Reproducibility and transferability of topological data: experimental charge density study of two modifications of L-alanyl-L-tyrosyl-L-alanine.
    Checińska L, Mebs S, Hübschle CB, Förster D, Morgenroth W, Luger P.
    Org Biomol Chem; 2006 Sep 07; 4(17):3242-51. PubMed ID: 17036112
    [Abstract] [Full Text] [Related]

  • 15. Topological features of both electron density and electrostatic potential in the bis(thiosemicarbazide)zinc(II) dinitrate complex.
    Novaković SB, Bogdanović GA, Fraisse B, Ghermani NE, Bouhmaida N, Spasojević-de Biré A.
    J Phys Chem A; 2007 Dec 27; 111(51):13492-505. PubMed ID: 18052044
    [Abstract] [Full Text] [Related]

  • 16. Experimental charge density of L-alanyl-L-prolyl-L-alanine hydrate: classical multipole and invariom approach, analysis of intra- and intermolecular topological properties.
    Kalinowski R, Dittrich B, Hübschle CB, Paulmann C, Luger P.
    Acta Crystallogr B; 2007 Oct 27; 63(Pt 5):753-67. PubMed ID: 17873445
    [Abstract] [Full Text] [Related]

  • 17. Estimating unobserved reflection intensities in Laue diffraction by the maximum-entropy method.
    Xie Y, Hao Q.
    Acta Crystallogr D Biol Crystallogr; 1999 Jan 27; 55(Pt 1):238-42. PubMed ID: 10089415
    [Abstract] [Full Text] [Related]

  • 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 27; 62(Pt 4):676-88. PubMed ID: 16840817
    [Abstract] [Full Text] [Related]

  • 19. A comparison between experimental and theoretical aspherical-atom scattering factors for charge-density refinement of large molecules.
    Pichon-Pesme V, Jelsch C, Guillot B, Lecomte C.
    Acta Crystallogr A; 2004 May 27; 60(Pt 3):204-8. PubMed ID: 15103162
    [Abstract] [Full Text] [Related]

  • 20. Accurate structure factors and experimental charge densities from synchrotron X-ray powder diffraction data at SPring-8.
    Nishibori E, Sunaoshi E, Yoshida A, Aoyagi S, Kato K, Takata M, Sakata M.
    Acta Crystallogr A; 2007 Jan 27; 63(Pt 1):43-52. PubMed ID: 17179606
    [Abstract] [Full Text] [Related]

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