In this review, the optical and structural properties of biomaterials are discussed. First, we demonstrate the optical and structural properties of natural and plasma-treated DNA, using UV-visible absorption, circular dichroism (CD), and Raman spectroscopy. Fluorescence and lasing action in the dye-doped DNA-surfactant complex are also explained. Additionally, nanomaterial-based DNA detection and DNA-templated nanomaterial growth are described. Next, we discuss protein folding studies utilizing fluorescence, CD, and nuclear magnetic resonance (NMR) spectroscopy. From the CD spectra of alpha-chymotrypsin (CT), we estimate the composition of a-helices and the beta-sheets, and random coils in the CT. 1H NMR spectroscopy is used to investigate the thermal effect on the refolding of CT in the presence of an ionic liquid. Finally, we explain the numerical simulation method used for studying the optical properties of biomaterials. Applications of the Monte-Carlo method in photodynamic therapy, skin tissue optics, and bioimaging are described.