Before revision:  Our method is based on extensive non-equilibrium all-atom simulations: We computationally pull the machupo virus (MACV) spike glycoprotein (GP1) away from the human transferrin receptor (hTfR1) and estimate affinity using the maximum applied force during a pulling simulation and the area under the force-versus-distance curve.
After revision:  Our method is based on extensive non-equilibrium all-atom simulations: We computationally pull the machupo virus (MACV) spike glycoprotein (GP1) away from the human transferrin receptor (hTfR1) . We then approximate affinity using the maximum applied force during a pulling simulation and the area under the force-versus-distance curve.