The molecular recognition properties of DNA gave rise to many novel materials and applications such as DNA biosensors, DNA-functionalized colloidal materials, DNA origami and DNA-based directed surface assembly. The DNA-functionalized surfaces are used in biosensors and for programmed self-assembly of biological, organic and inorganic moieties into novel materials. However, surface density, length, and linker design of the surface functionalized DNAs significantly influence the properties of DNA-driven assemblies and materials. This perspective discusses the understanding of structure and dynamics of DNA immobilized on the surfaces from the theoretical point of view including recent progress in analytical theories, atomistic simulations, and coarse-grained models. (C) 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 49: 1563-1568, 2011