Since the fibrils bind only at the interface, our molecular docking simulations were also directed toward the interface. This means the ligand that can strongly bind to the surface of the fibril has the potential to inhibit the fibril formation. To identify these fibrils, molecular docking simulations were performed using AutoDock Vina software ( We have also explored the fibril-membrane binding interactions to study fibril binding and transport across the plasma membrane. First, the bilayer plasma membrane was modeled using the CHARMM-GUI web server. In the next step, the fibril was docked on the plasma membrane.