Aria Gheeraert

This paper uses molecular dynamics simulations to analyze changes in the RBD/hACE2 interface across SARS-CoV-2 variants, identifying key residues and interactions that contribute to binding stability and variant persistence.

The paper evaluates the diversity of non-covalent protein-carbohydrate interfaces using the DIONYSUS database, revealing evolutionary convergence and demonstrating the utility of CBS structure-based approaches for functional annotation.