Subtle changes at the RBD/hACE2 interface during SARS-CoV2 variant evolution: a molecular dynamics study
Aria Gheeraert, Vincent Leroux, Dominique Mias‐Lucquin, Yasaman Karami, Laurent Vuillon, Isaure Chauvot de Beauchêne, Marie‐Dominique Devignes, Ivan Rivalta, Bernard Maigret, Laurent Chaloin
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.
Biomolecules · Apr 7, 2025Peer-reviewedBioinformatics