Following the same protocol of preparation, minimization and production already described, 4 MDs of 3 𝜇s were obtained for the system composed of RBD of SARS-CoV-1 and ACE2, starting from the experimental structure with PDB code 2AJF. For the analysis of interactions that lead to the obtainment of a pharmacophore, it would be convenient to use only those sections of the MD run that are considered energetically converged. Therefore, using the MMPSA.py 38 script of AMBER20, a calculation of the evolution of the Gibbs free binding energy between each RBD (i.e. SARS-CoV-1 and SARS-CoV-2) with ACE2 against time was carried out. Specifically, the MMGBSA 39 approach was used using for the generalized Born (GB) method the parameters optimized by Onufriev et al. Both in the case of SARS-CoV-1 and SARS-CoV-2 it was concluded that the interaction analysis should be done on the last 200 ns of each of the 4 MDs obtained for each system.