Molecular Modeling Applied to Nanobiosystems

Molecular modeling is an important tool for the study and development of new nanotechnologies. This technique is widely applied in the description and characterization of biological systems, aiding the research and development of new health-related technologies. This chapter provides the reader with basic—but fundamental—principles of computer simulation and the use of online biomolecule data repositories. The main programs for molecule manipulation and visualization and the theory underlying the main computational methods discussed are presented.