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Assessment of Computational Methods for Ligand Binding

Most drugs act on biomacromolecules. The Cost of developing new drugs is very high. A method to accurately predict binding affinities would be very useful. We have studied molecular mechanics with generalised Born and surface--area solvation (MM/GBSA) and alchemical free energy perturbation methods (FEP) for use in calculations of ligand binding energies. For the MM/GBSA method we have tested: Ca

Paul's Argumentation in Galatians : A Pragma-dialectical Analysis of Gal. 3.1–5.12

As one of the most important texts of the apostle Paul, Galatians offers a goodstarting-point for an investigation of Paul’s argumentation. The letter is polemical and contains a substantial amount of argumentative passages. Paul evidently wanted to persuade by using the best arguments possible to convince his addressees. Although the argumentation of Paul is often an issue within New Testament ex

Circularity in Outdoor Textile Brands - Examining the Integration of Brand Identity, Management Actions, and Communication Strategies for Sustainability

Purpose: The purpose of this research was to investigate how outdoor textile brands align their brand bdentity with their management actions and communication to become more circular. It was as a consequence explored how communication strategies of outdoor brands align with their management decision and how management actions push the transition of a brand towards more circularity. Methodology: Th

Exploring limited capacity in the grid : Actors, problems and solutions

An extensive and reliable electricity grid is essential for all sectors of society. In parts of Sweden, the electricity grid has been suffering from a lack of capacity. This is something affecting all sectors and all people in these regions. The capacity problems have however so far mainly been analyzed in a technical system perspective, focusing on incumbent actors, whereas other actors have been

To Show: apropos of Marcel Duchamp’s Étant donnés: 1° La chute d’eau, 2° Le gaz d’éclairage...

Aims: To study aspects of Marcel Duchamp’s posthumous permanent installation 'Étant donnés: 1° La chute d’eau, 2° Le gaz d’éclairage…' ('Given: 1. The Waterfall, 2. The Illuminating Gas...'). To investigate and show methods in the making as well as in the interpretation of Duchamp’s work. To perform and document minor actions as reflections on (and of) the study. To investigate relations between r