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Journal Abstract Search

195 related items for PubMed ID: 21245542

  • 1. Structural analysis and multipole modelling of quercetin monohydrate--a quantitative and comparative study.
    Domagała S, Munshi P, Ahmed M, Guillot B, Jelsch C.
    Acta Crystallogr B; 2011 Feb; 67(Pt 1):63-78. PubMed ID: 21245542
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  • 2. On the application of an experimental multipolar pseudo-atom library for accurate refinement of small-molecule and protein crystal structures.
    Zarychta B, Pichon-Pesme V, Guillot B, Lecomte C, Jelsch C.
    Acta Crystallogr A; 2007 Mar; 63(Pt 2):108-25. PubMed ID: 17301471
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  • 3. Experimental and database-transferred electron-density analysis and evaluation of electrostatic forces in coumarin-102 dye.
    Bibila Mayaya Bisseyou Y, Bouhmaida N, Guillot B, Lecomte C, Lugan N, Ghermani N, Jelsch C.
    Acta Crystallogr B; 2012 Dec; 68(Pt 6):646-60. PubMed ID: 23165601
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  • 4. 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; 64(Pt 5):567-88. PubMed ID: 18453693
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  • 5. Verification of structural and electrostatic properties obtained by the use of different pseudoatom databases.
    Bąk JM, Domagała S, Hübschle C, Jelsch C, Dittrich B, Dominiak PM.
    Acta Crystallogr A; 2011 Mar; 67(Pt 2):141-53. PubMed ID: 21325717
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  • 6. 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; 65(Pt 6):490-500. PubMed ID: 19844032
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  • 12. Can the interaction density be measured? The example of the non-standard amino acid sarcosine.
    Dittrich B, Spackman MA.
    Acta Crystallogr A; 2007 Sep; 63(Pt 5):426-36. PubMed ID: 17703077
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  • 13. 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; 62(Pt 4):676-88. PubMed ID: 16840817
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  • 15. Multipole electron-density modelling of synchrotron powder diffraction data: the case of diamond.
    Svendsen H, Overgaard J, Busselez R, Arnaud B, Rabiller P, Kurita A, Nishibori E, Sakata M, Takata M, Iversen BB.
    Acta Crystallogr A; 2010 Jul; 66(Pt 4):458-69. PubMed ID: 20555186
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  • 16. 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
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  • 18. Experimental and theoretical charge density distribution in a host-guest system: synthetic terephthaloyl receptor complexed to adipic acid.
    Nguyen TH, Howard ST, Hanrahan JR, Groundwater PW, Platts JA, Hibbs DE.
    J Phys Chem A; 2012 Jun 14; 116(23):5618-28. PubMed ID: 22548484
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  • 19. Experimental X-ray charge density studies on the binary carbonyls Cr(CO)6, Fe(CO)5, and Ni(CO)4.
    Farrugia LJ, Evans C.
    J Phys Chem A; 2005 Oct 06; 109(39):8834-48. PubMed ID: 16834287
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  • 20. 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
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