Search research publications and outputs

  1. rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids

    Ruiz-Carmona, S., Alvarez-Garcia, D., Foloppe, N., Garmendia-Doval, A. B., Juhos, S., Schmidtke, P., Barril, X., Hubbard, R. E. & Morley, S. D., 10 Apr 2014

    Article in PLoS Computational Biology

  2. Wrappings of power: a woman’s burial in cattle hide at Langwell Farm, Strath Oykel

    Lelong, O., Arabaolaza, I., Booth, T., Exans, J., Evershed, R., Harris, S., Hollund, H., Keely, B. J., Lamb, A., Pickering, M. D., Pinder, A. P., Ramsay, S., Walton Rogers, P., Soberl, L., Wilson, C. & Wilson, L., 2014

    Article in Proceedings of the Society of Antiquaries of Scotland

  3. Volatile organic compound emissions from the oil and natural gas industry in the Uintah Basin, Utah: oil and gas well pad emissions compared to ambient air composition

    Warneke, C., Geiger, F., Edwards, P., Dube, W., Petron, G., Zahn, A., Brown, S. S., Graus, M., Gilman, J. B., Lerner, B. M., Peischl, J., Ryerson, T. B., de Gouw, J. A. & Roberts, J. M., 20 Oct 2014

    Article in Atmospheric Chemistry and Physics

  4. Validation of N-myristoyltransferase as an antimalarial drug target using an integrated chemical biology approach

    Wright, M. H., Clough, B., Rackham, M. D., Rangachari, K., Brannigan, J. A., Grainger, M., Moss, D. K., Bottrill, A. R., Heal, W. P., Broncel, M., Serwa, R. A., Brady, D., Mann, D. J., Leatherbarrow, R. J., Tewari, R., Wilkinson, A. J., Holder, A. A. & Tate, E. W., Feb 2014

    Article in Nature Chemistry

  5. Toward biocompatible nuclear hyperpolarization using signal amplification by reversible exchange: Quantitative in situ spectroscopy and high-field imaging

    Hövener, J-B., Schwaderlapp, N., Borowiak, R., Lickert, T., Duckett, S. B., Mewis, R. E., Adams, R. W., Burns, M. J., Highton, L. A. R., Green, G. G. R., Olaru, A., Hennig, J. & Von Elverfeldt, D., 4 Feb 2014

    Article in Analytical Chemistry

  6. Thermodynamic and structural investigation of the specific SDS binding of humicola insolens cutinase

    Kold, D., Dauter, Z., Laustsen, A. K., Brzozowski, A. M., Turkenburg, J. P., Nielsen, A. D., Koldsø, H., Petersen, E., Schiøtt, B., De Maria, L., Wilson, K. S., Svendsen, A. & Wimmer, R., Aug 2014

    Article in Protein science

  7. The potential of methylsiloxanes as solvents for synthetic chemistry applications

    Ab Rani, M. A., Borduas, N., Colquhoun, V., Hanley, R., Johnson, H., Larger, S., Lickiss, P. D., Llopis-Mestre, V., Luu, S., Mogstad, M., Oczipka, P., Sherwood, J. R., Welton, T. & Xinga, J-Y., Mar 2014

    Article in Green Chemistry

  8. The ever changing moods of calmodulin: how structural plasticity entails transductional adaptability

    Villarroel, A., Taglialatela, M., Bernardo-Seisdedos, G., Alaimo, A., Agirre, J., Alberdi, A., Gomis-Perez, C., Soldovieri, M. V., Ambrosino, P., Malo, C. & Areso, P., 29 Jul 2014

    Article in Journal of Molecular Biology

  9. Synthesis of α- And β-galactopyranose-configured isomers of cyclophellitol and cyclophellitol aziridine

    Willems, L. I., Beenakker, T. J. M., Murray, B. S., Gagestein, B., Van Den Elst, H., Rijssel, E. R. V., Codée, J. D. C., Kallemeijn, W. W., Aerts, J. M. F. G., Van Der Marel, G. A. & Overkleeft, H. S., 14 Aug 2014

    Article in European Journal of Organic Chemistry

  10. Synthesis of cyclic carbonates catalysed by aluminium heteroscorpionate complexes

    Castro-Osma, J. A., Alonso-Moreno, C., Lara-Sánchez, A., Martínez, J., North, M. & Otero, A., 2014

    Article in Catalysis Science and Technology

  11. Synthesis and structural characterization of amido scorpionate rare earth metals complexes

    Márquez-Segovia, I., Lara-Sánchez, A., Otero, A., Fernández-Baeza, J., Castro-Osma, J. A., Sánchez-Barba, L. F. & Rodríguez, A. M., 7 Jul 2014

    Article in Dalton Transactions

  12. Structures of Alcohol Dehydrogenases from Ralstonia and Sphingobium spp. Reveal the Molecular Basis for Their Recognition of ‘Bulky–Bulky’ Ketones

    Man, H., Kędziora, K., Kulig, J., Frank, A., Lavandera, I., Gotor-Fernández, V., Rother, D., Hart, S., Turkenburg, J. P. & Grogan, G., Mar 2014

    Article in TOPICS IN CATALYSIS

  13. Structure-based design of potent and selective leishmania N-myristoyltransferase inhibitors

    Hutton, J. A., Goncalves, V., Brannigan, J. A., Paape, D., Wright, M. H., Waugh, T. M., Roberts, S. M., Bell, A. S., Wilkinson, A. J., Smith, D. F., Leatherbarrow, R. J. & Tate, E. W., 19 Sep 2014

    Article in JOURNAL OF MEDICINAL CHEMISTRY

  14. Structural and functional study of the GlnB22-insulin mutant responsible for maturity-onset diabetes of the young

    Křížková, K., Veverka, V., Maletínská, L., Hexnerová, R., Brzozowski, A. M., Jiráček, J. & Žáková, L., 25 Nov 2014

    Article in PLoS ONE

  15. Spectroscopic and computational insight into the activation of O 2by the mononuclear Cu center in polysaccharide monooxygenases

    Kjaergaard, C. H., Qayyum, M. F., Wong, S. D., Xu, F., Hemsworth, G. R., Walton, D. J., Young, N. A., Davies, G. J., Walton, P. H., Johansen, K. S., Hodgson, K. O., Hedman, B. & Solomon, E. I., 17 Jun 2014

    Article in Proceedings of the National Academy of Sciences of the United States of America

  16. Smart designing of new hybrid materials based on brushite-alginate and monetite-alginate microspheres: Bio-inspired for sequential nucleation and growth

    Amer, W., Abdelouahdi, K., Ramananarivo, H. R., Fihri, A., El Achaby, M., Zahouily, M., Barakat, A., Djessas, K., Clark, J. & Solhy, A., 1 Feb 2014

    Article in Materials Science and Engineering: C

  17. Size-dependent wet removal of black carbon in Canadian biomass burning plumes

    Taylor, J. W., Allan, J. D., Allen, G., Coe, H., Williams, P. I., Flynn, M. J., Le Breton, M., Muller, J. B. A., Percival, C. J., Oram, D., Forster, G., Lee, J. D., Rickard, A. R., Parrington, M. & Palmer, P. I., 22 Dec 2014

    Article in Atmospheric Chemistry and Physics

  18. Shape-persistent and adaptive multivalency: Rigid transgeden (TGD) and flexible PAMAM dendrimers for heparin binding

    Bromfield, S. M., Posocco, P., Fermeglia, M., Tolosa, J., Herreros-López, A., Pricl, S., Rodríguez-López, J. & Smith, D. K., 28 Jul 2014

    Article in Chemistry - A European Journal

  19. Selective oxidation of allylic alcohols over highly ordered Pd/meso-Al2O3 catalysts

    Parlett, C. M. A., Durndell, L. J., Wilson, K., Bruce, D. W., Hondow, N. S. & Lee, A. F., 10 Jan 2014

    Article in Catalysis Communications

  20. Secondary organic aerosol formation and composition from the photo-oxidation of methyl chavicol (estragole)

    Pereira, K. L., Hamilton, J. F., Rickard, A. R., Bloss, W. J., Alam, M. S., Camredon, M., Muñoz, A., Vázquez, M., Borrás, E. & Ródenas, M., 3 Jun 2014

    Article in Atmospheric Chemistry and Physics

  21. Secondary Organic Aerosol Formation and Organic Nitrate Yield from NO3 Oxidation of Biogenic Hydrocarbons

    Fry, J. L., Draper, D. C., Barsanti, K. C., Smith, J. N., Ortega, J., Winkler, P. M., Lawler, M. J., Brown, S. S., Edwards, P., Cohen, R. C. & Lee, L., 21 Oct 2014

    Article in Environmental science & technology

  22. Reductive activation and structural rearrangement in superoxide reductase: A combined infrared spectroscopic and computational study

    Horch, M., Pinto, A. F., Utesch, T., Mroginski, M. A., Romão, C. V., Teixeira, M., Hildebrandt, P. & Zebger, I., 21 Jul 2014

    Article in Physical chemistry chemical physics

  23. Reaction of the halo nucleus be on heavy targets at energies around the coulomb barrier*

    Pesudo, V., Borge, M. J. G., Moro, A. M., Nacher, E., Acosta, L., Alcorta, M., Alvarez, M. A. G., Ball, G. C., Bender, P. C., Braid, R., Cubero, M., Di Pietro, A., Di Pietro, J. P., Figuera, P., Fisichella, M., Fulton, B. R., Garnsworthy, A. B., Gomez-Camacho, J., Hackman, G., Kirsebom, O. S. & 18 others, Kuhn, K., Krüecken, R., Lattuada, M., Lay, J. A., Marquínez-Durán, G., Martel, I., Miller, D., Moukaddam, M., O'Malley, P. D., Perea, A., Rajabali, M. M., Sánchez-Benítez, A. M., Sarazin, F., Scuderi, V., Svensson, C. E., Tengblad, O., Unsworth, C. & Wang, Z. M., Feb 2014

    Article in Acta Physica Polonica B

  24. Radical chemistry at night: comparisons between observed and modelled HOx, NO3 and N2O5 during the RONOCO project

    Stone, D., Evans, M. J., Walker, H., Ingham, T., Vaughan, S., Ouyang, B., Kennedy, O. J., McLeod, M. W., Jones, R. L., Hopkins, J., Punjabi, S., Lidster, R., Hamilton, J. F., Lee, J. D., Lewis, A. C., Carpenter, L. J., Forster, G., Oram, D. E., Reeves, C. E., Bauguitte, S. & 7 others, Morgan, W., Coe, H., Aruffo, E., Dari-Salisburgo, C., Giammaria, F., Di Carlo, P. & Heard, D. E., 5 Feb 2014

    Article in Atmospheric Chemistry and Physics

  25. Probing signal amplification by reversible exchange using an NMR flow system

    Mewis, R. E., Atkinson, K. D., Cowley, M. J., Duckett, S. B., Green, G. G. R., Green, R. A., Highton, L. A. R., Kilgour, D., Lloyd, L. S., Lohman, J. A. B. & Williamson, D. C., 1 Jul 2014

    Article in MAGNETIC RESONANCE IN CHEMISTRY

  26. Probing bacterial uptake of glycosylated ciprofloxacin conjugates

    Milner, S. J., Carrick, C. T., Kerr, K. G., Snelling, A. M., Thomas, G. H., Duhme-Klair, A-K. & Routledge, A., 10 Feb 2014

    Article in Chembiochem

  27. Potent and selective activity-based probes for GH27 human retaining α-galactosidases

    Willems, L. I., Beenakker, T. J. M., Murray, B. S., Scheij, S., Kallemeijn, W. W., Boot, R. G., Verhoek, M., Donker-Koopman, W. E., Ferraz, M. J., Rijssel, E. R. V., Florea, B. I., Codée, J. D. C., Van Der Marel, G. A., Aerts, J. M. F. G. & Overkleeft, H. S., 8 Aug 2014

    Article in Journal of the American Chemical Society

  28. Polyglycerol-based amphiphilic dendrons as potential siRNA carriers for in vivo applications

    Tschiche, A., Staedtler, A. M., Malhotra, S., Bauer, H., Böttcher, C., Sharbati, S., Calderón, M., Koch, M., Zollner, T. M., Barnard, A., Smith, D. K., Einspanier, R., Schmidt, N. & Haag, R., 7 Mar 2014

    Article in Journal of Materials Chemistry B

  29. Phytoextraction as a tool for green chemistry

    Hunt, A. J., Anderson, C., Bruce, N. C., Garcia, A. M., Graedel, T., Hodson, M. E., Meech, J., Nassar, N., Parker, H. L., Rylott, L., Sotiriou, K., Zhang, Q. & Clark, J. H., Feb 2014

    Article in Green Processing and Synthesis

  30. Photophysical and photoconductivity properties of thiol-functionalized graphene-CdSe QD composites

    Debgupta, J., Mandal, S., Kalita, H., Aslam, M., Patra, A. & Pillai, V., 31 Jan 2014

    Article in RSC Advances

  31. Pd-catalysed intramolecular regioselective arylation of 2-pyrones, pyridones, coumarins and quinolones by C-H bond functionalization

    Nolan, M-T., Bray, J. T. W., Eccles, K., Cheung, M. S., Lin, Z., Lawrence, S. E., Whitwood, A. C., Fairlamb, I. J. S. & McGlacken, G. P., 7 Oct 2014

    Article in Tetrahedron

  32. Palaeoecology of a late MIS 7 interglacial deposit from eastern England

    Langford, H. E., Boreham, S., Coope, G. R., Fletcher, W., Horne, D. J., Keen, D. H., Mighall, T., Penkman, K. E. H., Schreve, D. C. & Whittaker, J. E., 18 Aug 2014

    Article in Quaternary International

  33. On the synthesis of α-amino sulfoxides

    Rayner, P. J., Gelardi, G., O'Brien, P., Horan, R. A. J. & Blakemore, D. C., 7 Jun 2014

    Article in Organic and Biomolecular Chemistry

  34. Nanoscale self-assembled multivalent (SAMul) heparin binders in highly competitive, biologically relevant, aqueous media

    Bromfield, S. M., Posocco, P., Chan, C. W., Calderon, M., Guimond, S. E., Turnbull, J. E., Pricl, S. & Smith, D. K., 1 Apr 2014

    Article in Chemical Science

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