SARS-CoV-2 spike binding to ACE2 is stronger and longer ranged due to glycan interaction.
Biophys J
; 121(1): 79-90, 2022 01 04.
Article
in English
| MEDLINE | ID: covidwho-1556984
ABSTRACT
Highly detailed steered molecular dynamics simulations are performed on differently glycosylated receptor binding domains of the severe acute respiratory syndrome coronavirus-2 spike protein. The binding strength and the binding range increase with glycosylation. The interaction energy rises very quickly when pulling the proteins apart and only slowly drops at larger distances. We see a catch-slip-type behavior whereby interactions during pulling break and are taken over by new interactions forming. The dominant interaction mode is hydrogen bonds, but Lennard-Jones and electrostatic interactions are relevant as well.
Full text:
Available
Collection:
International databases
Database:
MEDLINE
Main subject:
SARS-CoV-2
/
COVID-19
Limits:
Humans
Language:
English
Journal:
Biophys J
Year:
2022
Document Type:
Article
Similar
MEDLINE
...
LILACS
LIS