A model of SARS-CoV-2 spike transmembrane domain linked to the HR2 region: structural organisation and possible role in membrane fusion

by Elena Aliper | Nikolay A. Krylov | Dmitry E. Nolde | Anton A. Polyansky | Roman G.
Efremov | Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry

Here we present the results of modelling SARS-CoV-2 spike transmembrane domain using a
new comprehensive framework of computational tools, as well as discuss the performance of
the final model in MD simulations when linked to the HR2 region