BiophysicsbioRxivPreprint
Molecular dynamic simulation reveals E484K mutation enhances spike RBD-ACE2 affinity and the combination of E484K, K417N and N501Y mutations (501Y.V2 variant) induces conformational change greater than N501Y mutant alone, potentially resulting in an escape mutant
G. Nelson, O. Buzko, P. R. Spilman…·P. R. Soon-Shiong
This study uses molecular dynamics simulations to show that the E484K mutation increases spike RBD-ACE2 affinity and that the combination of E484K, K417N, and N501Y mutations causes greater conformational changes, potentially leading to antibody escape.
DOI 10.1101/2021.01.13.426558