Here we examine the reliability of surface comparisons in searches for active sites in proteins. Detection of a patch of surface on one protein which is similar to an active site in another, may suggest similarities in enzymatic mechanisms, in enzyme functions and implicate a potential target for ligand/inhibitor design. Specifically, we compare the efficacy of molecular surface comparisons with comparisons of surface atoms and of C(alpha) backbone atoms. We further investigate comparisons of specific atoms, belonging to a predefined pattern of catalytic residues versus comparisons of molecular surfaces and, separately, of surface atoms. This aspect is particularly relevant, as catalytic residues may be (partially) buried. We also explore active site comparisons versus comparisons in which the entire molecular surfaces are scanned. While here we focus on the geometrical aspect of the problem, we also investigate the effect of adding residue labels in these comparisons. Our extensive studies cover the serine proteases, containing the highly conserved triad motif, and the chorismate mutases. Since such active site comparisons entail comparisons between unconnected points in 3D space, an order-independent comparison technique is necessary. The geometric hashing algorithm is ideally suited to handling such a task. It can perform both global shape matching for the whole surfaces of large protein molecules and searching for local shape similarities for small surface motifs. Our results show that molecular surface comparisons work best when the similarity is high. As the similarity deteriorates, the number of potential solutions increases rapidly, making their ranking difficult, particularly when scanning entire molecular surfaces. Utilizing atomic coordinates directly appears more adequate under such circumstances.

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The legal framing of national education systems has been subject to substantial change in the past decade, especially in Nordic countries. Earlier research has called for better understanding of the implications of these changes which, in turn, points to a need for conceptual development. With an emphasis on legal and education scholarly work, this article explores concepts for further research on juridification in relation to education. This is done through an abductive process of inquiry, in which interpretations of the concept of juridification developed in previous research are explored in relation to changes in Swedish education policy on the area of equal treatment. We distinguish conceptually between juridification of and in education and propose a conceptual framework based on six dimensions of juridification, contributing to a view of policy as both formally regulated and enacted by education actors at different levels. This conceptual framework opens up new directions for further research in different areas and contexts.

Purpose – The purpose of this paper is to describe and analyze changes in the descriptions and requirements of professional communicators in Swedish job advertisements between 1960 and 2010. Design/methodology/approach – Through a quantitative content analysis, this study approaches organizational requirement information in order to better understand changes in the description of the ideal candidate and professionalization. Findings – The results show that job titles have gradually become more specified and strategically orientated. Tactical qualifications dominated the first decades but operational and strategic skills were increasingly required in the material over the last two decades. Research limitations/implications – Even if job advertisements could expose the historical changes in expectations and demands on communicational professional practitioners, further studies could entail complementary material such as interviews with senior communications managers and headhunters. Practical implications – In order to be legitimized as a field of profession, scholars, teachers and practitioners need to create ideals and ideologies that can justify and defend business and education. This paper stimulates practitioners to reflect critically on such issues. Originality/value – The key contribution of this paper is to explicate how the image of communication practice and the demands on communication practitioners have changed during the last 50 years.

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