T. E. Malliavin

Conformational Space of the Translocation Domain of Botulinum Toxin: Atomistic Modeling and Mesoscopic Description of the Coiled-Coil Helix Bundle

The paper investigates the conformational changes of the translocation domain of botulinum toxin using atomistic simulations and the Twister model to understand its interaction with membranes.

Computational and biochemical analysis of type IV Pilus dynamics and stability

The paper uses molecular dynamics simulations and biochemical experiments to study T4P stability, identifying a calcium-binding site important for function and suggesting it as a drug target.