3 resultados para ORAL ENZYMES

em WestminsterResearch - UK


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Workplace memorabilia, regarded here as artifacts and mementoes kept from workplaces and stored in homes, is varied, including; tools of a trade, ephemeral leaflets and pamphlets, union mementoes, uniforms and badges, long service awards, gifts from colleagues, and photographs both formal and informal. These objects can symbolize many years of work-life history and the corollary of this, their absence, perhaps the need to forget the drudgery of ‘the daily grind’. The materiality of an object saved or taken from the workplace often prompts reminiscence (Bornat, 2001) but can also, in itself and its method of display, represent and express key identities, work processes and traditions. Using examples from a three year ESRC funded project on work and identity this paper focuses on the women who participated in the study and investigates what is kept or not, whether the ways in which work memorabilia is displayed or stored is gendered, and how this might illuminate gendered social relations in the workplace and gendered work identities.

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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.