Ontology highlight
ABSTRACT:
SUBMITTER: Jawad B
PROVIDER: S-EPMC9063111 | biostudies-literature | 2022 May
REPOSITORIES: biostudies-literature
Jawad Bahaa B Adhikari Puja P Podgornik Rudolf R Ching Wai-Yim WY
The journal of physical chemistry letters 20220428 17
The emergence of new SARS-CoV-2 Omicron variant of concern (OV) has exacerbated the COVID-19 pandemic because of a large number of mutations in the spike protein, particularly in the receptor-binding domain (RBD), resulting in highly contagious and/or vaccine-resistant strains. Herein, we present a systematic analysis based on detailed molecular dynamics (MD) simulations in order to understand how the OV RBD mutations affect the ACE2 binding. We show that the OV RBD binds to ACE2 more efficientl ...[more]