Molecular Dynamics

COVID S1RBD interacts with hACE2
COVID S1RBD interacts …

Why did omicron spread so much faster than earlier SARS-CoV-2 variants? We looked at this at the molecular level: where the spike protein’s receptor-binding domain meets the human ACE2 receptor.

We built models of 14 variants (alpha to omicron BA.5) from PDB structures and ran 100 ns MD …