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In this context, our lab developed a computational pipeline to quickly quantify the free energy of interaction at the spike RBD\/ACE2 protein\u2013protein interface, reflecting the incidence trend observed in the transmissibility\/virulence of the investigated variants. In this new study, we used our pipeline to estimate the free energy of interaction between the RBD from 10 variants, and 14 antibodies (ab), or 5 nanobodies (nb), highlighting the RBD regions preferentially targeted by the investigated ab\/nb. Our structural comparative analysis and interaction energy calculations allowed us to propose the most promising RBD regions to be targeted by future ab\/nb to be designed by site\u2010directed mutagenesis of existing high\u2010affinity ab\/nb, to increase their affinity for the target RBD region, for preventing spike\u2010RBD\/ACE2 interactions and virus entry in host cells. Furthermore, we evaluated the ability of the investigated ab\/nb to simultaneously interact with the three RBD located on the surface of the trimeric spike protein, which can alternatively be in up\u2010 or down\u2010 (all\u20103\u2010up\u2010, all\u20103\u2010down\u2010, 1\u2010up\u2010\/2\u2010down\u2010, 2\u2010up\u2010\/1\u2010down\u2010) conformations.<\/jats:p>","DOI":"10.1002\/jmv.28875","type":"journal-article","created":{"date-parts":[[2023,6,20]],"date-time":"2023-06-20T11:31:02Z","timestamp":1687260662000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":10,"title":["Deconstructing SARS\u2010CoV\u20102 neutralization: A modular molecular framework for computational design and comparison of antibodies and nanobodies targeting the spike RBD"],"prefix":"10.1002","volume":"95","author":[{"given":"Vincenzo","family":"Tragni","sequence":"first","affiliation":[{"name":"Department of Pharmacy\u2014Pharmaceutical Sciences 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