Manuel Mangoni

The paper evaluates pocket detection methods across molecular dynamics simulations to identify conserved and transient druggable sites in proteins.

NetMD synchronizes and analyzes molecular dynamics trajectories using graph embedding and time warping to reveal shared dynamics and deviations across conditions.

nAPOGEE assesses pathogenicity of mitochondrial noncoding variants using machine learning, revealing consistent spatial correlation of predicted pathogenicity.

This study uses network analysis in Drosophila melanogaster to identify mitochondrial genes associated with aging and age-related diseases.