Structural Determinants of the Energetic Barrier of Phospholipid Flip-Flop
Maisa Vuorte, Utkarsh Pandey, Matti Javanainen
The paper calculates flip-flop free-energy barriers for over 700 membrane-lipid combinations using Martini 3 simulations and develops a Bayesian model to predict barriers based on chemical descriptors and membrane structure.
bioRxiv · Oct 26, 2026 · PreprintBiophysics