April 12, 2020

The SIRAH-CoV2 initiative: freely available coarse-grained simulations of SARS-CoV2 proteins

The Group of Biomolecular Simulations at the Institut Pasteur de Montevideo, and the National Supercomputing Center (Cluster-UY) launched the SIRAH-CoV2 initiative. We aim at providing 10-microseconds long (or longer) trajectories of coarse-grained simulations of the CoV2 protein structures reported on the PDB. Trajectories and topologies, provided as raw data in Amber format are being uploaded to the Zenodo Database. Please let us know if you are interested in any particular protein, we are happy to help!