Development of user-friendly, high throughput screening for ligands and inhibitors of carbohydrate modifying enzymes

This paper describes the impact of cloud computing and the use of GPUs on the performance of Autodock and Gromacs respectively. Cloud computing was applicable to reducing the ‘‘tail’’ seen in running Autodock on desktop grids and the GPU version of Gromacs showed significant improvement over the CPU version. A large (200,000 compounds) library of small molecules, seven sialic acid analogues of the putative substrate and 8000 sugar molecules were converted into pdbqt format and used to interrogate the Trichomonas vaginalis neuraminidase using Autodock Vina. Good binding energy was noted for some of the small molecules (~-9 kcal/mol), but the sugars bound with affinity of less than -7.6 kcal/mol. The screening of the sugar library resulted in a ‘‘top hit’’ with a-2,3-sialyllacto-N-fucopentaose III, a derivative of the sialyl Lewisx structure and a known substrate of the enzyme. Indeed in the top 100 hits 8 were related to this structure. A comparison of Autodock Vina and Autodock 4.2 was made for the high affinity small molecules and in some cases the results were superimposable whereas in others, the match was less good. The validation of this work will require extensive ‘‘wet lab’’ work to determine the utility of the workflow in the prediction of potential enzyme inhibitors.

High Formalism: The aerial view and the colour field

Laura Kurgan’s Monochrome Landscapes (2004), first exhibited in the Whitney Museum of American Art in New York City, consists of four oblong Cibachrome prints derived from digital files sourced from the commercial Ikonos and QuickBird satellites. The prints are ostensibly flat, depthless fields of white, green, blue, and yellow, yet the captions provided explain that the sites represented are related to contested military, industrial, and cartographic practices. In Kurgan’s account of Monochrome Landscapes she explains that it is in dialogue with another work from the Whitney by abstract artist Ellsworth Kelly. This article pursues the relationship between formalist abstraction and satellite imaging in order to demonstrate how formalist strategies aimed at producing an immediate retinal response are bound up with contemporary uses of digital information and the truth claims such information can be made to substantiate.

The Crisis in the UK's High Streets: can the evening and night-time economy help?

Changes in retailing over the last half century have had a detrimental effect on the UK’s local high streets. The recession of 2008-2012 exacerbated these trends leading to a high number of vacancies and neglected properties. The impact was sufficiently severe for the term ‘crisis’ to be used in connection with the British high street. In the academic and commercial reports generated by the recognition that the high street needed to adapt to changing circumstances, a view emerged that the leisure component of high street activity would gain in importance. This article reviews the relationship of the evening and nighttime economy to the high street and considers its potential in reinventing the vitality that is normally associated with these mixed-use urban corridors. The article argues that there is hope in the high street offering a different type of experience to the mainstream forms of entertainment that are consolidating in major town and city centres. It concludes by suggesting that for this to be successful, some public support is necessary.