Figure 7

PMFs for crizotinib leaving ALK along the ATP-pocket dissociation pathway for crizotinib-bound ALKs in WT, L1198F mutant, L1202R mutant, and L1198F/G1202R mutant. The PMF curves derived from last 4 ns (7~10 ns) simulation results were convergent and were chosen for comparison. The error bars correspond to the standard error of last 4 ns results for every window.