Nowadays bio-ferroelectric phenomena are already widely known. These phenomena include several clearly apparent ferroelectric and piezoelectric properties, such as the existence of spontaneous polarization and reversible weak-signal piezoelectric response accompanied with hysteresis behavior, which are often manifested in organic and biological systems. To understand main features and laws of these phenomena in biology and in nano-scienses it becomes obvious that here it is necessary to find and select some simpler nanostructures from the entire complex set of biological objects and to study ferroelectric phenomena on such simplest biomimic systems and nanostructures. Among various biomolecular structures, amino acids (AA) and their various nanostructures (dipeptides, pepide nanotubes), as well as DNA nucleobases, were the first and a most simple systems underlined in the field of the such interest. The focus in this book are on computational modelling and theoretical background of these piezoelectric and bioferroelectric phenomena in various AA, their nanocrystals and tubular peptide nanostructures.