The SIRAH-CoV-2 Initiative: A Coarse-Grained Simulations' Dataset of the SARS-CoV-2 Proteome

GARAY, PABLO G.; BARRERA, EXEQUIEL E.; KLEIN, FLORENCIA; MACHADO, MATIAS R.; SOÑORA, MARTÍN; PANTANO, SERGIO

Frontiers in Medical Technology

Frontiers Media SA

Año: 2021 vol. 3

Our group undertook the initiative of simulating and sharing the raw data of coarse-grained simulations of the SARS-CoV-2 proteins reported in the PDB, in the apo state from the representative structures reported until October 30, 2020. We named this ?The SIRAH-CoV-2 Initiative,? which was carried out in collaboration with the Uruguayan National Center for Supercomputing, ClusterUY. The raw data for individual CG Molecular Dynamics simulations is available from the Zenodo database.