Alessio Bartocci

Across 12 µs of all-atom simulations, cholesterol stabilizes the sigma-1 receptor trimer, while haloperidol, unlike (+)-pentazocine, engages β6-strand W136 to tighten interprotomer coupling.

This study investigates how common EXO5 haplotypes affect protein structure, dynamics, and cancer progression using genomic, clinical, and simulation data.

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.