AI-guided transition path sampling of lipid flip-flop and membrane nanoporation — feature data and networks

We study the mechanism of unassisted lipid flip-flop, i.e., the transversaldisplacement of a single lipid from one leaflet of a lipid bilayer to theother, by transition path sampling. This repository contains the simulated flip-flop trajectories in terms of themain features used to characterize the process by a neuronal network model ofthe committor.