Can you predict how virus proteins will evolve mutations based on the structure alone? Kinda 🤓
Our new paper with friends in 🇿🇦 uses molecular dynamics, graph theory and machine learning to identify the residues in SARS-CoV-2 Mpro most prone or resistant to mutation 🦠☢️
https://doi.org/10.1016/j.csbj.2024.10.031