The self-assembly behaviors of various comb copolymers are investigated by using Monte Carlo simulations, random phase approximation (RPA), and self-consistent field theoretic (SCFT) simulations. We consider three kinds of comb copolymer systems having different copolymer constitutions: comb copolymer with an alternating sequence of A and B side chains (a-CC); comb copolymer with blocky sequence of A and B side chains (b-CC); comb copolymer with side chains of A-B diblock chains (core-shell type side chain) (c-CC). A particular focus in this simulation study will be placed on the molecular packing of comb copolymers in their ordered structures, which will interpret various structural and transition characteristics in bulk and in thin films.