Ising Cellular Automata for Proton Diffusion on Protein Surfaces

Q2R cellular automata are combined with Kawasaki dynamics to give an Ising ferromagnet with conserved magnetization and conserved energy. In its lattice gas interpretation, it may serve to describe the diffusion of hydrogen ions on the surface of globular proteins. Our computer simulations test to what extent the phase transition at the Curie point is still visible in small 10×10 lattices and t~104.