Fig. 4.

Differences in the structural response to ATP hydrolysis between the wild-type and $\mathrm{\Delta }$F508 mutant NBD dimer of CFTR from D-NEMD simulations. The structural deviation of the dimer’s C$\mathrm{\alpha }$ atoms at specific times (2, 20, 100, and 300 ps) after ATP hydrolysis are mapped on the average perturbed post-hydrolysis structures according to the scale. This figure was adapted from reference [35]