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Acta crystallographica. Section B, Structural science. 2008 Aug;64(Pt 4):504-14. doi: 10.1107/S0108768108019149 Q30.02024

Hydrogen-bond motifs in the crystals of hydrophobic amino acids

疏水性氨基酸晶体中的氢键基序 翻译改进

László Fábián  1, James A Chisholm, Peter T A Galek, W D Samuel Motherwell, Neil Feeder

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作者单位

  • 1 Pfizer Institute for Pharmaceutical Materials Science, Department of Materials Science and Metallurgy, University of Cambridge, Pembroke Street, Cambridge CB2 3QZ, England. fabian@ccdc.cam.ac.uk
  • DOI: 10.1107/S0108768108019149 PMID: 18641453

    摘要 Ai翻译

    A computer program has been developed to survey a set of crystal structures for hydrogen-bond motifs. Possible ring and chain motifs are generated automatically from a user-defined list of interacting molecular fragments and intermolecular interactions. The new program was used to analyse the hydrogen-bond networks in the crystals of 52 zwitterionic alpha-amino acids. All the possible chain motifs (repeating 1-4 molecules) are frequent, while the frequency of ring motifs (2-6 molecules) ranges from 0 to 85% of the structures. The list of motifs displayed by each structure reveals structural similarities and it can be used to compare polymorphs. The motifs formed in cocrystals of alpha-amino acids and in crystals of beta- and gamma-amino acids are similar to those of alpha-amino acids.

    Copyright © Acta crystallographica. Section B, Structural science. 中文内容为AI机器翻译,仅供参考!

    期刊名:Acta crystallographica section b-structural science

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    ISSN:0108-7681

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    IF/分区:0.0/Q3

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    Hydrogen-bond motifs in the crystals of hydrophobic amino acids