BiochemistrybioRxiv
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…·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.
DOI 10.1007/s13167-021-00267-w