Acknowledgements: We thank Francisco Sanz García and Daniel Lisbona of the Ibercivis Foundation for their assistance provided in the use of the BOINC platform. We also thank Miguel Hernán and Jose Ramón Arribas for their technical advice. Finally, we acknowledge the volunteers who contributed to the COVID-PHYM project using BOINC distributed computing networks.
Competing interests: Authors declare no competing interests.
Author’s contribution: PMD, JR, JMS, JDA and RP conceived the idea. PMD, JR, and JMS designed the ensemble docking model. JR and VLC performed the computations. PMD, JR, JMS developed the analysis and wrote the manuscript with support of VCL, RP and JDA.
Funding: J. R. was supported by the CSIC (PIE202050E017) for financial support. PMD was supported by the Ramon Areces Foundation, postdoctoral grant.
Material and correspondence: material request and correpondence should be adressed to PMD (pablom@hsph.harvard.edu) and JR (j.ramos@csic.es).
Figure 1 Analysis of the interactions between the ATP, remdesivir, and tenofovir ligands with the RdRp receptor containing template-nascent RNA and Mg ions.