The discovery of the carbon nanotubes has opened up a new field in biomedical research. Indeed, the recognition of carbon nanotubes by DNA, DNA assisted separation of carbon nanotubes, DNA immobilization on carbon nanotubes surfaces have been demonstrated. The knowledge of carbon nanotubes-DNA interaction is of fundamental importance for using carbon nanotubes/biomechanical complexes. In this study experimental and theoretical study of the DNA-interface coupling is performed to achieve better understanding of the properties of many carbon nanotubes-based biosystems, as well as novel phenomena caused by the interaction of carbon nanotubes with biomolecules. This paper is focused on the study of interactions between single walled carbon nanotube (SWCNT) surfaces with DNA, poly-A, and individual nucleotides, to clear up the conformation changes in these complexes. New spectroscopic technique based on the effect of enhancement of infrared (IR) absorption by rough metal surface (SEIRA) together with surface enhanced Raman spectroscopy (SERS) and atomic force microscopy (AFM) for registration of structural changes in carbon nanotubes and DNA/carbon nanotubes complexes were applied. SEIRA spectroscopy data was compared with ab initio quantumchemical calculations performed for thymine and adenine adsorbed on carbon nanotubes. A possible model of interaction between nucleic acid bases, double and single nucleic acid strands and the carbon nanotube surfaces is derived from the experiments and calculations.