Orientation distribution of globular protein molecules in a two-dimensional lattice: Computer simulation

Abstract

In order to see the relationship between the monomer structure and the polymer structure of protein, stable patterns of the orientation distribution of globular molecules in a two-dimensional lattice were investigated by a computer. A set of interaction parameters was given to interaction sites distributed on the surface of the molecule and the energy was assumed to be given by the sum of products of parameters belonging to the facing sites of neighbouring molecules. Patterns having different degrees of order were obtained under various sets of interaction parameters. The response of the pattern to the environmental condition was also simulated and the gradual and transitional changes of the pattern were found.