Modelling of various Sars-Cov2 human protein interactions
In 2020, as part of the EGI call for COVID-19 related projects, EGI contributed to port the HADDOCK in the EGI cloud resources operated by the providers supporting the WeNMR SLA and the resources provided by Open Science Grid (OSG). HADDOCK is an integrative platform for the modeling of biomolecular complexes. It supports a large variety of input data and it is also a core software in the BioExcel Center of Excellence to support COVID-19 researchers. Thanks to the cooperation already established between EGI, the Open Science Grid (OSG) and various high energy physics sites that committed to support COVID-19 related research, the HADDOCK platform was able to more than double its processing capacity, serving on average ~550 active users per months, 11,000 simulations related to COVID-19 (the equivalent of ~1.5 million HTC jobs, ~2.7 million CPU hours) on the EGI and OSC grid resources over the months of April to September 2020.