Riccardo Capelli

This study elucidates the mechanism of gelsolin activation through a combination of experimental and computational methods, revealing a dynamic, domain-dependent process leading to a heterogeneous active-state ensemble.

This study evaluates multi-eGO's ability to predict PDZ2-peptide binding changes across mutations, showing good thermodynamic agreement but limited kinetic accuracy.

The paper identifies severe NFIX missense variants causing a subtype of Malan syndrome with progressive musculoskeletal issues and shows variant-specific DNA-binding disruptions.

This paper uses molecular dynamics simulations to study how static electric fields affect Aβ42 fibrils, showing they destabilize fibrils by altering surface properties and reducing secondary nucleation.

This study uses constant-pH simulations to show that β2AR inactivation is linked to protonation events and sodium ion interactions, challenging existing models of GPCR function.

The paper investigates how hereditary spastic paraplegia mutations affect katanin's conformational transition using molecular simulations, revealing that some mutations impact an intermediate state.

This study uses in silico methods to investigate the role of calcium in the inactivation of the human olfactory receptor OR51E2, identifying a novel mechanism involving divalent ion coordination.