Literature DB >> 11169645

Structure Determination of an Oligopeptide Directly from Powder Diffraction Data This work was supported by the EPSRC, the University of Birmingham, Wyeth-Ayerst plc, and Ciba Specialty Chemicals. We are grateful to Professor P. Balaram (Indian Institute of Science, Bangalore) for valuable discussions.

Emilio Tedesco1, Giles W. Turner, Kenneth D. M. Harris, Roy L. Johnston, Benson M. Kariuki.   

Abstract

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Year:  2000        PMID： 11169645

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


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  5 in total

1.  A structure determination protocol based on combined analysis of 3D-ED data, powder XRD data, solid-state NMR data and DFT-D calculations reveals the structure of a new polymorph of l-tyrosine.

Authors:  Christopher J H Smalley; Harriet E Hoskyns; Colan E Hughes; Duncan N Johnstone; Tom Willhammar; Mark T Young; Christopher J Pickard; Andrew J Logsdail; Paul A Midgley; Kenneth D M Harris
Journal:  Chem Sci       Date:  2022-03-30       Impact factor: 9.969

2.  Exploiting powder X-ray diffraction for direct structure determination in structural biology: the P2X4 receptor trafficking motif YEQGL.

Authors:  Kotaro Fujii; Mark T Young; Kenneth D M Harris
Journal:  J Struct Biol       Date:  2011-03-05       Impact factor: 2.867

3.  Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2'-deoxyguanosine structural motif.

Authors:  Colan E Hughes; G N Manjunatha Reddy; Stefano Masiero; Steven P Brown; P Andrew Williams; Kenneth D M Harris
Journal:  Chem Sci       Date:  2017-03-16       Impact factor: 9.825

4.  Solid-State Structural Properties of Alloxazine Determined from Powder XRD Data in Conjunction with DFT-D Calculations and Solid-State NMR Spectroscopy: Unraveling the Tautomeric Identity and Pathways for Tautomeric Interconversion.

Authors:  Christopher J H Smalley; Andrew J Logsdail; Colan E Hughes; Dinu Iuga; Mark T Young; Kenneth D M Harris
Journal:  Cryst Growth Des       Date:  2021-11-22       Impact factor: 4.076

5.  Orbital Mapping of Semiconducting Perylenes on Cu(111).

Authors:  Giovanni Di Santo; Tanja Miletić; Mathias Schwendt; Yating Zhou; Benson M Kariuki; Kenneth D M Harris; Luca Floreano; Andrea Goldoni; Peter Puschnig; Luca Petaccia; Davide Bonifazi
Journal:  J Phys Chem C Nanomater Interfaces       Date:  2021-10-28       Impact factor: 4.177
  5 in total

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