F. Musiani

A computational study to assess the pathogenicity of single or combinations of missense variants on respiratory Complex I

This study uses molecular dynamics simulations to assess how single or combined missense variants in respiratory complex I affect its function, finding that some variants stiffen key regions and worsen dysfunction.

A blueprint for high affinity SARS-CoV-2 Mpro inhibitors from activity-based compound library screening guided by analysis of protein dynamics

The paper identifies a blueprint for high affinity SARS-CoV-2 Mpro inhibitors by analyzing protein dynamics and redefining druggability through virtual screening and pharmacophore modeling.