ABSTRACT
Computational methods of molecular modeling and simulation come to acquire extended applicability in the area of therapeutic systems, as they are able to predict the properties of the materials used in manufacturing drug carriers as well as the interactions between these materials and the biological molecules of the internal medium of the body. Thus, molecular modeling in this field borrows techniques, methods, and information from both computational materials science and molecular modeling of biological macromolecules, two areas with a solid background to the present day.
