Before revision:  We achieve this by means of \mu-sec funnel-metadynamics simulations, which efficiently enhance the sampling of bound and unbound states  using a funnel-shaped restraining potential to limit the exploration in the solvent.
After revision:  We achieve this by means of \mu-sec funnel-metadynamics simulations, which efficiently enhance the sampling of bound and unbound states by using a funnel-shaped restraining potential to limit the exploration in the solvent.