Modelling
NFFA-Europe: Fast track access to nanoscience facilities
NFFA-Europe offers the opportunity of submitting COVID-track proposals that will be assessed for feasibility and peer-evaluated one by one for Remote Transnational Access. COVID-track proposals may require access to all facilities for nanofabrication and nanoscale analysis on materials, nano-delivery systems of vaccins, models, numerical simulations or any directly relevant research that may need urgent access to NFFA-Europe resources.
EGI: HADDOCK, a biomolecular simulations platform
HADDOCK (High Ambiguity Driven protein-protein DOCKing) is an integrative platform developed at Utrecht University for the modelling of biomolecular complexes and is one of the WeNMR thematic services. HADDOCK can support complex simulation projects, and benefits from the distributed computing infrastructure of EGI. In the context of COVID-19 related research it can, for example, model interaction between virus proteins and human one, or support the docking of small molecules to targets such as the COVID-19 protease. The tool is offered by the Bijvoet Center of the Utrecht University, Netherlands, is supported by the EOSC-hub H2020 project and is also accessible through the European Open Science Cloud Portal.
LIFEWATCH: Epidemiology and data support
In response to the COVID-19 pandemic, LIFEWATCH ERIC has planned an initiative where a group of international scientists with long-track experience in machine learning and modeling, which will join efforts to:
- Implement a large set of scenario and model simulations to establish alternative trajectories of spread for SARS-CoV-2
- Perform an extensive sensitivity analysis to understand the major sources of uncertainty associated with model projections
- Develop an on-line decision support system platform enabling individuals and stakeholders in the public and private sectors to query about risks in specific locations and time periods
- Support the federation, provenance and accountability mechanisms associated to distributed (e-)Resources (databases, publications, media, software, etc.) through Blockchain-based technologies.
RECETOX: Virtual drug screening software
RECETOX RI supports the Government of Czechia in managing the pandemic outbreak of Covid-19 by analysing, interpreting and modelling the available population data needed for development of population-protecting strategies and IT tools. RECETOX RI is also fighting the pandemic outbreak of Covid-19 by the virtual screening. The in-house software tool CaverDock can be applied for virtual screening of potential drugs against protein targets identified in the context of coronavirus pandemic. CaverDock has been developed during the last four years and is publicly available via the website.
PRACE: Access to computing resources
PRACE (Partnership for Advanced Computing in Europe) is welcoming project proposals requesting computing resources to contribute to the mitigation of the impact of the COVID-19 pandemic. PRACE partners, HPC centres, and research infrastructures are doing their bit by opening up their facilities for urgent/priority access to the HPC systems and other resources to support the research to combat the coronavirus. Please find a list of these initiatives here.
IT4Innovations: Access to computational resources
IT4Innovations National Supercomputing Centre at VŠB – Technical University of Ostrava has offered its users from academic institutions priority access to its computational resources to solve problems regarding the Covid-19 disease research. Applicants focused on mitigating the coronavirus spread may submit the project proposals within the "Director’s Discretion scheme". Applications will be approved immediately and given significantly higher priority to use the IT4Innovations computational resources.