Computational Epitope Map of SARS-CoV-2 Spike Protein
Published in PLOS Computational Biology, 2021
Recommended citation: Sikora, M.*, von Bülow, S.*, Blanc, F.E.C.*, Gecht, M.*, Covino, R.*, Hummer, G. (2021). "Computational Epitope Map of SARS-CoV-2 Spike Protein." PLOS Computational Biology. 174. https://doi.org/10.1371/journal.pcbi.1008790
We build one of the first complete models of the SARS-CoV-2 spike protein, simulate a viral membrane patch with 4 spike copies for 2.5 microseconds, and devise a machine learning approach to predict immunogenic sites from the simulation.