K5 polysaccharides inhibit SARS-CoV-2 infection by preventing spike-proteolytic priming

This dataset contains coordinate and input files for running and analyzing conventional dynamics simulations of a fully glycosylated spike protein with three K5NOSH or three K5OSH chains bound. In addition, raw data retrieved from clinicaltrials.gov to summarize clinical trials performed on COVID-19 patients using unfractionated heparin (UFH) or low molecular weight heparin (LMWH), as reported in Table S1, have been made available (last update December 16th 2024). The associated study is described in: "K5 polysaccharides inhibit SARS-CoV-2 infection by preventing spike-proteolytic priming". Maria Milanesi, Chiara Urbinati, Liv Zimmermann, Pasqua Oreste, Alberto Zani, Arnaldo Caruso, Francesca Caccuri, Vibor Laketa, Petr Chlanda, Rebecca C. Wade, Marco Rusnati and Giulia Paiardi. Submitted."Preprint of the manuscript available at https://www.biorxiv.org/content/10.1101/2025.04.23.650164v1