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21 Research products

  • DARIAH EU
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Hannes Berg; Maria A. Wirtz Martin; Nadide Altincekic; Islam Alshamleh; +79 Authors

    Work at BMRZ is supported by the state of Hesse. Work in Covid19-NMR was supported by the Goethe Corona Funds, by the IWBEFRE-program 20007375 of state of Hesse, the DFG through CRC902: “Molecular Principles of RNA-based regulation.” and through infrastructure funds (project numbers: 277478796, 277479031, 392682309, 452632086, 70653611) and by European Union’s Horizon 2020 research and innovation program iNEXT-discovery under grant agreement No 871037. BY-COVID receives funding from the European Union’s Horizon Europe Research and Innovation Programme under grant agreement number 101046203. “INSPIRED” (MIS 5002550) project, implemented under the Action “Reinforcement of the Research and Innovation Infrastructure,” funded by the Operational Program “Competitiveness, Entrepreneurship and Innovation” (NSRF 2014–2020) and co-financed by Greece and the EU (European Regional Development Fund) and the FP7 REGPOT CT-2011-285950—“SEE-DRUG” project (purchase of UPAT’s 700 MHz NMR equipment). The support of the CERM/CIRMMP center of Instruct-ERIC is gratefully acknowledged. This work has been funded in part by a grant of the Italian Ministry of University and Research (FISR2020IP_02112, ID-COVID) and by Fondazione CR Firenze. A.S. is supported by the Deutsche Forschungsgemeinschaft [SFB902/B16, SCHL2062/2-1] and the Johanna Quandt Young Academy at Goethe [2019/AS01]. M.H. and C.F. thank SFB902 and the Stiftung Polytechnische Gesellschaft for the Scholarship. L.L. work was supported by the French National Research Agency (ANR, NMR-SCoV2-ORF8), the Fondation de la Recherche Médicale (FRM, NMR-SCoV2-ORF8), FINOVI and the IR-RMN-THC Fr3050 CNRS. Work at UConn Health was supported by grants from the US National Institutes of Health (R01 GM135592 to B.H., P41 GM111135 and R01 GM123249 to J.C.H.) and the US National Science Foundation (DBI 2030601 to J.C.H.). Latvian Council of Science Grant No. VPP-COVID-2020/1-0014. National Science Foundation EAGER MCB-2031269. This work was supported by the grant Krebsliga KFS-4903-08-2019 and SNF-311030_192646 to J.O. P.G. (ITMP) The EOSC Future project is co-funded by the European Union Horizon Programme call INFRAEOSC-03-2020—Grant Agreement Number 101017536. Open Access funding enabled and organized by Projekt DEAL SARS-CoV-2 (SCoV2) and its variants of concern pose serious challenges to the public health. The variants increased challenges to vaccines, thus necessitating for development of new intervention strategies including anti-virals. Within the international Covid19-NMR consortium, we have identified binders targeting the RNA genome of SCoV2. We established protocols for the production and NMR characterization of more than 80 % of all SCoV2 proteins. Here, we performed an NMR screening using a fragment library for binding to 25 SCoV2 proteins and identified hits also against previously unexplored SCoV2 proteins. Computational mapping was used to predict binding sites and identify functional moieties (chemotypes) of the ligands occupying these pockets. Striking consensus was observed between NMR-detected binding sites of the main protease and the computational procedure. Our investigation provides novel structural and chemical space for structure-based drug design against the SCoV2 proteome. 12 pags., 4 figs., 3 tabs. Peer reviewed

    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Angewandte Chemie In...arrow_drop_down
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    Angewandte Chemie International Edition
    Other literature type . Article . 2022 . Peer-reviewed
    License: CC BY
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    Article . 2024
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    Fraunhofer-ePrints
    Other literature type . 2022
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    Angewandte Chemie
    Article . 2022 . Peer-reviewed
    License: CC BY
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    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
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    https://doi.org/10.26083/tupri...
    Article . 2024
    License: CC BY
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Angewandte Chemie In...arrow_drop_down
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      Angewandte Chemie International Edition
      Other literature type . Article . 2022 . Peer-reviewed
      License: CC BY
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      tuprints
      Article . 2024
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      Other literature type . 2022
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
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      Angewandte Chemie
      Article . 2022 . Peer-reviewed
      License: CC BY
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      https://doi.org/10.26083/tupri...
      Article . 2024
      License: CC BY
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Berg, Hannes; Wirtz Martin, Maria A.; Altincekic, Nadide; Alshamleh, Islam; +20 Authors

    SARS-CoV-2 (SCoV2) and its variants of concern pose serious challenges to the public health. The variants increased challenges to vaccines, thus necessitating for development of new intervention strategies including anti-virals. Within the international Covid19-NMR consortium, we have identified binders targeting the RNA genome of SCoV2. We established protocols for the production and NMR characterization of more than 80 % of all SCoV2 proteins. Here, we performed an NMR screening using a fragment library for binding to 25 SCoV2 proteins and identified hits also against previously unexplored SCoV2 proteins. Computational mapping was used to predict binding sites and identify functional moieties (chemotypes) of the ligands occupying these pockets. Striking consensus was observed between NMR-detected binding sites of the main protease and the computational procedure. Our investigation provides novel structural and chemical space for structure-based drug design against the SCoV2 proteome. Angewandte Chemie. International Edition, 61 (46) ISSN:0570-0833 ISSN:1433-7851 ISSN:1521-3773

    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Research Collectionarrow_drop_down
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    Research Collection
    Article . 2022
    License: CC BY
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      Research Collection
      Article . 2022
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/

    Iako u Zborniku dominiraju radovi koji se bave naučnicama u prošlosti, kao i njihovim radom, saznanjima, nedovoljnom afirmisanosšću njihovog rada, poteškoćama sa kojima su se suočavale, zbornik zaokružuju radovi koji se bave savremenom situacijom, tj. položajem žena u akademskoj zajednici danas i svim teškoćama koje i same akterke katkada teško detektuju i prepoznaju. Patrijarhalni mehanizmi prožimaju društvo u kome živimo na različitim nivoima, a sami principi koji vladaju u akademskom svetu – u kojima sve više važe pravila liberalnog kapitalizma i ideje o „upotrebljivosti“ nauke i merljivosti rezultata – cementiraju i prikrivaju davno odomaćen diskriminatorski odnos prema ženama i prema naučničkom glasu i diskursu koji odudara od dominantne paradigme. Stoga su neophodni neprekidni napori da se ženski glas u nauci čuje, a položaj naučnica stalno unapređuje i popravlja. Зборник радова Етнографског института САНУ 34 / Collection of Papers of Institute of Ethnography SASA 34

    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ DAIS - Digitalni arh...arrow_drop_down
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ DAIS - Digitalni arh...arrow_drop_down
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Edmond, Jennifer; Morselli, Francesca;

    PurposeThis paper proposes a new perspective on the enormous and unresolved challenge to existing practices of publication and documentation posed by the outputs of digital research projects in the humanities, where much good work is being lost due to resource or technical challenges.Design/methodology/approachThe paper documents and analyses both the existing literature on promoting sustainability for the outputs of digital humanities projects and the innovative approach of a single large-scale project.FindingsThe findings of the research presented show that sustainability planning for large-scale research projects needs to consider data and technology but also community, communications and process knowledge simultaneously. In addition, it should focus not only on a project as a collection of tangible and intangible assets, but also on the potential user base for these assets and what these users consider valuable about them.Research limitations/implicationsThe conclusions of the paper have been formulated in the context of one specific project. As such, it may amplify the specificities of this project in its results.Practical implicationsAn approach to project sustainability following the recommendations outlined in this paper would include a number of uncommon features, such as a longer development horizon, wider perspective on project results, and an audit of tacit and explicit knowledge.Social ImplicationsThese results can ultimately preserve public investment in projects.Originality/valueThis paper supplements more reductive models for project sustainability with a more holistic approach that others may learn from in mapping and sustaining user value for their projects for the medium to long terms.

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    Article . 2020
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    Journal of Documentation
    Article . 2020
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    Article . 2020
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    image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
    Journal of Documentation
    Article . 2020 . Peer-reviewed
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      Article . 2020
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      Article . 2020
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
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      Article . 2020
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      image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
      Journal of Documentation
      Article . 2020 . Peer-reviewed
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Hube, Christoph; Fetahu, Besnik;

    Biased language commonly occurs around topics which are of controversial nature, thus, stirring disagreement between the different involved parties of a discussion. This is due to the fact that for language and its use, specifically, the understanding and use of phrases, the stances are cohesive within the particular groups. However, such cohesiveness does not hold across groups. In collaborative environments or environments where impartial language is desired (e.g. Wikipedia, news media), statements and the language therein should represent equally the involved parties and be neutrally phrased. Biased language is introduced through the presence of inflammatory words or phrases, or statements that may be incorrect or one-sided, thus violating such consensus. In this work, we focus on the specific case of phrasing bias, which may be introduced through specific inflammatory words or phrases in a statement. For this purpose, we propose an approach that relies on a recurrent neural networks in order to capture the inter-dependencies between words in a phrase that introduced bias. We perform a thorough experimental evaluation, where we show the advantages of a neural based approach over competitors that rely on word lexicons and other hand-crafted features in detecting biased language. We are able to distinguish biased statements with a precision of P=0.92, thus significantly outperforming baseline models with an improvement of over 30%. Finally, we release the largest corpus of statements annotated for biased language. The Twelfth ACM International Conference on Web Search and Data Mining, February 11--15, 2019, Melbourne, VIC, Australia

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    http://arxiv.org/pdf/1811.0574...
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    https://doi.org/10.1145/328960...
    Conference object . 2019 . Peer-reviewed
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ arXiv.org e-Print Ar...arrow_drop_down
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      https://doi.org/10.1145/328960...
      Conference object . 2019 . Peer-reviewed
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Laurent Romary; Charles Riondet;

    This article tackles the issue of integrating heterogeneous archival sources in one single data repository, namely the European Holocaust Research Infrastructure (EHRI) portal, whose aim is to support Holocaust research by providing online access to information about dispersed sources relating to the Holocaust (http://portal.ehri-project.eu). In this case, the problem at hand is to combine data coming from a network of archives in order to create an interoperable data space which can be used to search for, retrieve and disseminate content in the context of archival-based research. The scholarly purpose has specific consequences on our task. It assumes that the information made available to the researcher is as close as possible to the originating source in order to guarantee that the ensuing analysis can be deemed reliable. In the EHRI network of archives, as already observed in the case of the EU Cendari project, one cannot but face heterogeneity. The EHRI portal brings together descriptions from more than 1900 institutions. Each archive comes with a whole range of idiosyncrasies corresponding to the way it has been set up and evolved over time. Cataloging practices may also differ. Even the degree of digitization may range from the absence of a digital catalogue to the provision of a full-fledged online catalogue with all the necessary APIs for anyone to query and extract content. There is indeed a contrast here with the global endeavour at the international level to develop and promote standards for the description of archival content as a whole. Nonetheless, in a project like EHRI, standards should play a central role. They are necessary for many tasks related to the integration and exploitation of the aggregated content, namely: ● Being able to compare the content of the various sources, thus being able to develop quality-checking processes; ● Defining of an integrated repository infrastructure where the content of the various archival sources can be reliably hosted; ● Querying and re-using content in a seamless way; ● Deploying tools that have been developed independently of the specificities of the information sources, for instance in order to visualise or mine the resulting pool of information. The central aspect of the work described in this paper is the assessment of the role of the EAD (Encoded Archival Description) standard as the basis for achieving the tasks described above. We have worked out how we could develop a real strategy of defining specific customization of EAD that could be used at various stages of the process of integrating heterogeneous sources. While doing so, we have developed a methodology based on a specification and customization method inspired from the extensive experience of the Text Encoding Initiative (TEI) community. In the TEI framework, as we show in section 1, one has the possibility to model specific subsets or extensions of the TEI guidelines while maintaining both the technical (XML schemas) and editorial (documentation) content within a single framework. This work has led us quite far in anticipating that the method we have developed may be of a wider interest within similar environments, but also, as we believe, for the future maintenance of the EAD standard. Finally this work, successfully tested and implemented in the framework of EHRI [Riondet 2017], can be seen as part of the wider endeavour of European research infrastructures in the humanities such as CLARIN and DARIAH to provide support for researchers to integrate the use of standards in their scholarly practices. This is the reason why the general workflow studied here has been introduced as a use case in the umbrella infrastructure project PARTHENOS which aims, among other things, at disseminating information and resources about methodological and technical standards in the humanities.

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    OpenAIRE; Archival Science
    Other literature type . Article . 2018 . Peer-reviewed
    License: Springer TDM
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    Authors: Nadia Boukhelifa; Michael Bryant; Natasa Bulatovic; Ivan Čukić; +5 Authors

    International audience; The CENDARI infrastructure is a research-supporting platform designed to provide tools for transnational historical research, focusing on two topics: medieval culture and World War I. It exposes to the end users modern Web-based tools relying on a sophisticated infrastructure to collect, enrich, annotate, and search through large document corpora. Supporting researchers in their daily work is a novel concern for infrastructures. We describe how we gathered requirements through multiple methods to understand historians' needs and derive an abstract workflow to support them. We then outline the tools that we have built, tying their technical descriptions to the user requirements. The main tools are the note-taking environment and its faceted search capabilities; the data integration platform including the Data API, supporting semantic enrichment through entity recognition; and the environment supporting the software development processes throughout the project to keep both technical partners and researchers in the loop. The outcomes are technical together with new resources developed and gathered, and the research workflow that has been described and documented.

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    Journal on Computing and Cultural Heritage
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  • Authors: Walker-Meikle, Kathleen; Lehmann, Jörg; Morselli, Francesca; Tromboni, Lorenza; +1 Authors

    CENDARI Archival Research Guide; This Archival Research Guide (ARG) aims to provide the user with a broad overview of the Archival Directory, a key component of the CENDARI Virtual Research Environment. The CENDARI Archival Directory consists of all available data in the AtoM application (“Access to Memory”) and data in the main repository, which is derived from international or national aggregators as well as national archives or other data providers. All data, whether manually inputted via the AtoM application or collected from institutions, form together the Archival Directory. In this guide the term “Archival Directory” refers only to the application AtoM and it hence will be used in this narrow sense. The term “Archival Directory AtoM” reinforces this definition. Unlike most of the other ARGs in CENDARI, this is not a thematic overview of a historical subject but instead a practical guide to the Archival Directory AtoM’s aims and how it was created and organised.This guide will present the methodology used by researchers associated with the CENDARI project when creating archival description and archival institution entries in CENDARI. It explains how material was selected to be entered into the Archival Directory AtoM, which institutions were considered as ‘hidden archives’ by the CENDARI team, what material was not included, the limitations of the project and the future of the Archival Directory AtoM. The CENDARI Archival Directory AtoM can be accessed both directly from the website and indirectly via the link provided in the Note-Taking Environment (NTE).

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  • Authors: Morselli, Francesca; Lehmann, Jörg;

    CENDARI Archival Research Guide; This Archival Research Guide is dedicated to different forms of women’s participation in the war effort and associationism during the First World War: these two strands include active participation of women in battles; war relief associations, peace movements and women’s employment in the war industry. Contemporary historiography has recognized the crucial role that women played in sustaining the war effort by replacing the labour ofmen who were engaged on the front. On the other hand, the role of women was crucial in those years for a variety of reasons and occupations: in fact, their commitment to organize in soldier’s relief and peace associations represents an important part of the historiography of the WW1. Moreover, the First World War was the first major belligerent event in which women could wear a military uniform: while this didn’t happen in every country, it was probably a first step toward the inclusion of women in sectors which once were exclusively occupied by men.

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  • Authors: Lehmann, Jörg; Morselli, Francesca;

    CENDARI Archival Research Guide; The subject “Science and Technology in the First World War” has so far been treated from the perspective on inventions and the development of new weapons, and often the focus has been on the topic of chemical warfare at the expense of other important dimensions. The approach of this Archival Research Guide, by contrast, comes from the social sciences and focuses on the establishment of relevant scientific, military and governmental bodies and on the personal networks established during the war. By examining these institutions and networks country by country, comparisons between them can be drawn, enabling further research with regard to the sociology of institutions. By pointing to the connections and channels of exchange between the nations and institutions under consideration, this approach opens up a transnational perspective and supports the paradoxal insight that transnational ties can dissolve national obstacles while simultaneously strengthening the nation-states themselves. On the individual level, the ARG takes the role of intellectuals into account, for whom scientific objectivity / neutrality and patriotic commitment seemed to have been no contradiction. It is remarkable that the First World War led to the establishment of several institutions aiming at funding science through the state, most notably in the case of France (CNRS), the U.S. (NACA/NASA) and Russia (KEPS).

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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Hannes Berg; Maria A. Wirtz Martin; Nadide Altincekic; Islam Alshamleh; +79 Authors

    Work at BMRZ is supported by the state of Hesse. Work in Covid19-NMR was supported by the Goethe Corona Funds, by the IWBEFRE-program 20007375 of state of Hesse, the DFG through CRC902: “Molecular Principles of RNA-based regulation.” and through infrastructure funds (project numbers: 277478796, 277479031, 392682309, 452632086, 70653611) and by European Union’s Horizon 2020 research and innovation program iNEXT-discovery under grant agreement No 871037. BY-COVID receives funding from the European Union’s Horizon Europe Research and Innovation Programme under grant agreement number 101046203. “INSPIRED” (MIS 5002550) project, implemented under the Action “Reinforcement of the Research and Innovation Infrastructure,” funded by the Operational Program “Competitiveness, Entrepreneurship and Innovation” (NSRF 2014–2020) and co-financed by Greece and the EU (European Regional Development Fund) and the FP7 REGPOT CT-2011-285950—“SEE-DRUG” project (purchase of UPAT’s 700 MHz NMR equipment). The support of the CERM/CIRMMP center of Instruct-ERIC is gratefully acknowledged. This work has been funded in part by a grant of the Italian Ministry of University and Research (FISR2020IP_02112, ID-COVID) and by Fondazione CR Firenze. A.S. is supported by the Deutsche Forschungsgemeinschaft [SFB902/B16, SCHL2062/2-1] and the Johanna Quandt Young Academy at Goethe [2019/AS01]. M.H. and C.F. thank SFB902 and the Stiftung Polytechnische Gesellschaft for the Scholarship. L.L. work was supported by the French National Research Agency (ANR, NMR-SCoV2-ORF8), the Fondation de la Recherche Médicale (FRM, NMR-SCoV2-ORF8), FINOVI and the IR-RMN-THC Fr3050 CNRS. Work at UConn Health was supported by grants from the US National Institutes of Health (R01 GM135592 to B.H., P41 GM111135 and R01 GM123249 to J.C.H.) and the US National Science Foundation (DBI 2030601 to J.C.H.). Latvian Council of Science Grant No. VPP-COVID-2020/1-0014. National Science Foundation EAGER MCB-2031269. This work was supported by the grant Krebsliga KFS-4903-08-2019 and SNF-311030_192646 to J.O. P.G. (ITMP) The EOSC Future project is co-funded by the European Union Horizon Programme call INFRAEOSC-03-2020—Grant Agreement Number 101017536. Open Access funding enabled and organized by Projekt DEAL SARS-CoV-2 (SCoV2) and its variants of concern pose serious challenges to the public health. The variants increased challenges to vaccines, thus necessitating for development of new intervention strategies including anti-virals. Within the international Covid19-NMR consortium, we have identified binders targeting the RNA genome of SCoV2. We established protocols for the production and NMR characterization of more than 80 % of all SCoV2 proteins. Here, we performed an NMR screening using a fragment library for binding to 25 SCoV2 proteins and identified hits also against previously unexplored SCoV2 proteins. Computational mapping was used to predict binding sites and identify functional moieties (chemotypes) of the ligands occupying these pockets. Striking consensus was observed between NMR-detected binding sites of the main protease and the computational procedure. Our investigation provides novel structural and chemical space for structure-based drug design against the SCoV2 proteome. 12 pags., 4 figs., 3 tabs. Peer reviewed

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    Angewandte Chemie International Edition
    Other literature type . Article . 2022 . Peer-reviewed
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    Article . 2024
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    Angewandte Chemie
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      Angewandte Chemie
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      https://doi.org/10.26083/tupri...
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    Authors: Berg, Hannes; Wirtz Martin, Maria A.; Altincekic, Nadide; Alshamleh, Islam; +20 Authors

    SARS-CoV-2 (SCoV2) and its variants of concern pose serious challenges to the public health. The variants increased challenges to vaccines, thus necessitating for development of new intervention strategies including anti-virals. Within the international Covid19-NMR consortium, we have identified binders targeting the RNA genome of SCoV2. We established protocols for the production and NMR characterization of more than 80 % of all SCoV2 proteins. Here, we performed an NMR screening using a fragment library for binding to 25 SCoV2 proteins and identified hits also against previously unexplored SCoV2 proteins. Computational mapping was used to predict binding sites and identify functional moieties (chemotypes) of the ligands occupying these pockets. Striking consensus was observed between NMR-detected binding sites of the main protease and the computational procedure. Our investigation provides novel structural and chemical space for structure-based drug design against the SCoV2 proteome. Angewandte Chemie. International Edition, 61 (46) ISSN:0570-0833 ISSN:1433-7851 ISSN:1521-3773

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    Article . 2022
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