A modular molecular framework for quickly estimating the binding affinity of the spike protein of SARS-CoV-2 variants for ACE2, in presence of mutations at the spike receptor binding domain.
V. Tragni, F. Preziusi, L. Laera, A. Onofrio, S. Todisco, M. Volpicella, A. De Grassi, C. L. Pierri
The paper presents a computational pipeline to estimate binding affinities of SARS-CoV-2 spike protein variants for ACE2, identifying potential new host factors involved in viral entry.
bioRxiv · May 26, 2021Biochemistry