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- Balint, Monika, et al.
(författare)
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Binding Networks Identify Targetable Protein Pockets for Mechanism-Based Drug Design
- 2022
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Ingår i: International Journal of Molecular Sciences. - : MDPI. - 1661-6596 .- 1422-0067. ; 23:13
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Tidskriftsartikel (refereegranskat)abstract
- The human genome codes only a few thousand druggable proteins, mainly receptors and enzymes. While this pool of available drug targets is limited, there is an untapped potential for discovering new drug-binding mechanisms and modes. For example, enzymes with long binding cavities offer numerous prerequisite binding sites that may be visited by an inhibitor during migration from a bulk solution to the destination site. Drug design can use these prerequisite sites as new structural targets. However, identifying these ephemeral sites is challenging. Here, we introduce a new method called NetBinder for the systematic identification and classification of prerequisite binding sites at atomic resolution. NetBinder is based on atomistic simulations of the full inhibitor binding process and provides a networking framework on which to select the most important binding modes and uncover the entire binding mechanism, including previously undiscovered events. NetBinder was validated by a study of the binding mechanism of blebbistatin (a potent inhibitor) to myosin 2 (a promising target for cancer chemotherapy). Myosin 2 is a good test enzyme because, like other potential targets, it has a long internal binding cavity that provides blebbistatin with numerous potential prerequisite binding sites. The mechanism proposed by NetBinder of myosin 2 structural changes during blebbistatin binding shows excellent agreement with experimentally determined binding sites and structural changes. While NetBinder was tested on myosin 2, it may easily be adopted to other proteins with long internal cavities, such as G-protein-coupled receptors or ion channels, the most popular current drug targets. NetBinder provides a new paradigm for drug design by a network-based elucidation of binding mechanisms at an atomic resolution.
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2. |
- Česnuitytė, Vida, et al.
(författare)
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The State and Future Prospects of the Sharing Economy in Europe
- 2022
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Ingår i: The Sharing Economy in Europe: Developments, practices, and contradictions. - : Palgrave. ; , s. 365-382
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Bokkapitel (refereegranskat)abstract
- The chapter is the final one in the volume of collected papers aiming to discuss the sharing economy in Europe. The idea of the book emerged within the research network created by the COST Action CA16121 ‘From Sharing to Caring: Examining Socio-Technical Aspects of the Collaborative Economy.’ The authors of the chapter sum up theoretical and empirical materials as well as country-specific cases provided in the book. The article critically assesses the current status of the sharing economy in European countries by highlighting major controversial issues related to deregulation, market disruption, or social inequality. The authors conclude that, considering the comprehensive and up-to-date materials collected and analysed in the book, it may become an outstanding source of knowledge and a practical tool in the process of expansion of the sharing economy in Europe and beyond.
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3. |
- Miguel, Cristina, 1979, et al.
(författare)
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The Sharing Economy in Europe: From Idea to Reality
- 2022
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Ingår i: The Sharing Economy in Europe: Developments, practices, and contradictions. - : Palgrave. ; , s. 3-18
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Bokkapitel (refereegranskat)abstract
- This chapter explains the rationale behind the book. It provides basic definitions of the concept of the sharing economy as well as the primary meanings related to the subject of the analysis undertaken in the subsequent chapters. This Introduction also includes a description of the main benefits of the analysis of the sharing economy from a European perspective. It highlights that the idea of the book emerged from the collaboration of most co-authors in the COST Action CA16121 ‘From Sharing to Caring: Examining Socio-Technical Aspects of the Collaborative Economy.’ Finally, the outline of the book is presented, providing a description of the content of each chapter within this academic collection.
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4. |
- Vohland, Katrin, et al.
(författare)
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Citizen Science and Sustainability Transitions
- 2020
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Ingår i: Research Policy. - : Elsevier BV. - 0048-7333. ; 49:5
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Tidskriftsartikel (refereegranskat)abstract
- Citizen Science (CS) projects involve members of the general public as active participants in research. Different proponents of this approach – including professional scientists, civil society groups, as well as policy makers – hope that it can increase scientific knowledge production but also bridge the gap between science and the broader society. In this paper, we discuss how both aspects can allow Citizen Science to have even more fundamental impacts by supporting sustainability transitions in areas such as renewable energy, public health, or environmental conservation. We first highlight three pathways through which such impacts can occur: (1) Problem identification and agenda setting; (2) Resource mobilization; and (3) Facilitating socio-technical co-evolution. To realize this potential, however, CS needs to address challenges that emerge especially in the context of sustainability transitions: Increasing the diversity, level, and intensity of participation; addressing the social as well as technical nature of sustainability problems; and reducing tensions between CS and the traditional institution of academic science. Grounded in a review of academic literature and policy reports as well as a broad range of case examples, this article contributes to scholarship on science, innovation, and sustainability transitions. We also offer insights for actors involved in initiating or institutionalizing Citizen Science efforts, including project organizers, funding agencies, and policy makers.
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