Francesco Musiani

The paper uses structure-based virtual screening to identify novel TMPRSS2 inhibitors from a large compound library, selecting 10 hit candidates through a reproducible filtering workflow.

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.

MoNvIso predicts the correct protein isoform for mutations and builds structural models of wild-type and variant isoforms using gene names and mutation lists.

The paper identifies 62 new inhibitors of SARS-CoV-2 3CL-Pro through a compound repurposing screen and validates their activity using X-ray crystallography.