The study focuses on computational methods for docking HER2 receptors to aptamers. To identify druggable HER2 receptor regions, we used P2Rank and GrASP web service. The HB5 aptamer has been shown to interact substantially with specific amino acids in the HER2 receptor, revealing potential binding sites. Several approaches were used to confirm docking interactions, which were then visualized using molecular modeling tools. The work stresses the value of aptamers in targeted cancer therapy, particularly for HER2-positive breast cancer, and the importance of computational techniques in identifying and validating druggable sites on cancerrelated proteins. Future studies will improve docking prediction accuracy and experimentally validate recommended contacts to further the development of aptamer-based nanomedicine.