Galaxy-ELIXIR Webinar 3 - Cheminformatics - Screening of the main protease

Galaxy-ELIXIR Webinar Series: FAIR data and Open Infrastructures to tackle the COVID-19 pandemic

The Galaxy Community and ELIXIR have organised a webinar series to demonstrate how open software and public research infrastructures can be used in analysing and publishing SARS-CoV2 data.

Session 3: Cheminformatics: Screening of the main protease

14 May 2020, 17.00-18.00 CEST (starts at 16.00 BST, 11.00 EDT, 8.00 PDT) (15 May 2020 @ 1:00am AEST.)

This session will present the Galaxy workflow to identify candidate molecules for COVID-19 drug treatment, using molecular docking simulation, which predict which molecules are most likely to bind to the SARS-CoV-2 main protein.

The computationally intensive workflow was executed through a distributed compute network available via the Galaxy Europe platform. The webinar will present methods and workflows forthe identification of potential COVID-19 drug candidates. Special emphasis will be given to the complex methods that have been applied and that have consumed more than 25 CPU and GPU years for this tasks.

Programme Information and Registration

Speakers to be confirmed