Despite the tremendous advance in experimental characterization techniques, these are not yet capable of delivering sufficiently time-and space-resolved information on the assem-bly process at atomistic detail. Therefore, molecular modeling is mandatory to complement higher-scale experimental understanding. Given the intrinsic dynamic nature of these systems, molecular dynamics is the most suitable computational technique that fits this purpose. However, self-assembly is characterized by a series of slow activated processes leading to the final assembled structure. This means that it involves crossing of large free energy barriers along the pathway that bring monomeric building blocks to associate in hierarchically higher-order structures. Unfortunately, the presence of these barriers hinders the transition among relevant metastable states in standard molecular dynamics simulations.