Figure 3.
Workflow of the suggested approach. The protein is embedded into a bilayer-solution environment and equilibrated. N conformations are extracted from the equilibration trajectory, and for each of them, eight independent runs under different electric fields are performed. For every run, the map of the local electrostatic potential is calculated. Based on this, the local electric field, the local electric field response and the system's response propensity are computed. The system's elements with R and (use greek symbol) above the detection threshold correspond to putative voltage sensors.