DOI, FAIR and MX COVID-19 use case

Nearly 120 IT professionals, scientists and managers from the Photon and Neutron (PaN) community attended the 2nd European PaN EOSC Symposium organised jointly by PaNOSC and ExPaNDS on 26th October 2021. The second part of the first session focused on a selection of use cases relating to some of the tools and services developed in the EOSC projects, for FAIR data catalogues, data analysis and simulation.

Here is the sixth use case. The presentation starts 1h54m26s in.

The COVID Moonshot is a worldwide consortium that includes academic and industrial groups, working to identify new compounds that could block the SARS-CoV-2 and develop an antiviral drug that would be safe, affordable and easily-manufactured.

The COVID Moonshot consortium aims to release all the data generated by the projects, to help researchers in the discovery of new antivirals molecules against coronaviruses.

Contributions by the PaN EOSC projects:

-A large amount of data has been created and analysed, before being released into the Protein Data Bank (PDB). PDB identification is used as PID.
-The usage of Zenodo was suggested as a data repository for raw diffraction data of proteins, allowing the community to access and process the data at will.
-A clear example of the good usage of Zenodo to serve a specific problem or community was presented , and both projects identified it as a possible solution for some of the PaN facilities that may not be able to afford a data catalogue of their own.
-Zenodo is a practical solution to find data. In this case, Zenodo data are linked to PDB data to maximise dissemination of information. There is a potential further maximisation of Zenodo through direct involvement in the development direction of the tool.

Keywords: COVID research, FAIR, fragalysis, drug development, XChem, PDB, zenodo, wp5-ExPaNDS

Resource type: video, slides

Licence: Creative Commons Attribution 4.0

Language: English

DOI: 10.5281/zenodo.5636331

Authors: Frank von Delft
External resources:
DOI, FAIR and MX COVID-19 use case Frank von Delft presents: DOI, FAIR and MX COVID-19 use case at the 2nd PaNOSC and ExPaNDS PaN EOSC Symposium (October 2021). COVID research, FAIR, fragalysis, drug development, XChem, PDB, zenodo, wp5-ExPaNDS