where F k i is the k-th waypoint from the i-th path and w(k) is a weight set to 0 when the MinDist is larger than 3 Å for both F k i and F k j otherwise w(k) i=1 (Figure ). In this formulation, we only consider the difference in egress paths when contact with protein is made while we disregard the differences when the ligand is unbound and its free energy is assumed to be constant. The distance