While the strategy of using DNA to form crystalline 3D assemblies of gold nanoparticles is now well established¹ , the challenge of using biomolecules to create ordered, multi-material assemblies is ongoing. As first steps in this direction, we consider a mixture of gold and silver nanoparticles, that will be linked by hybrid peptides with materials-specific binding domains located at either end of the molecule. Our aim is to create an ordered array of gold and silver nanoparticles in a 3D lattice. To model this assembly, we are adapting a coarse-grained model²  to simultaneously capture the nature of the materials-specific binding, and the structure and dynamics of the hybrid peptides themselves.