Exscalate4CoV: Innovative High Performing Computing (HPC) Strategies to Tackle Pandemic Crisis

Dear Colleagues,

The EXSCALATE4CoV (E4C) project aims to exploit the most powerful computing resources currently based in Europe to empower smart in silico drug design. Advanced computer-aided drug design (CADD) in combination with high-throughput biochemical and phenotypic screening will allow the rapid evaluation of the performed simulations and the reduction of time for the discovery of new drugs. Against a pandemic crisis, the rapid identification of effective treatments has indeed a dramatic relevance. E4C is mostly based on the already developed and validated EXSCALATE docking platform and its activities will be supported and empowered by three of the most powerful computer centers in Europe: CINECA, BSC, and JÜLICH. The E4C project will promptly disseminate its scientific outcomes to the research community, sharing all computational results and produced data trhough dedicated repositories. Thus, this Special Issue is intended as an E4C dissemination forum where all the obtained computational results will be carefully described with a view to fostering the deployment of the shared data for novel independent studies. Hence, all research groups which exploit the E4C shared outcomes for their own research are warmly invited to contribute to this Special Issue in order to achive a comprehensive picture of the various applications the shared data can offer and of the thus-obtained results.

For more details about E4C project, please see the following page:

https://www.exscalate4cov.eu/

Prof. Dr. Giulio Vistoli
Dr. Andrea Beccari
Guest Editors

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