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.