This course seeks for the student to know the possibilities offered by the latest computational modeling methods, as fundamental complementary tools in the rational design of biomaterials of biological or biotechnological interest (peptides, proteins, membranes, surfactants, etc.), as well as in elucidation at the atomic level of its mechanism of action. To this end, the main methods of molecular modeling and dynamic simulation applied to biomaterials will be studied, along with the algorithms and approximations necessary to carry out these studies, as well as the most common calculation methods for estimating ligand-biomolecule affinity, active conformations, etc. The subject also seeks to provide basic notions on how to use a supercomputer to carry out computational simulations of biomolecules, as well as knowing how to use some of the main computational tools for simulating biomaterials: computer engines, analysis packages, molecular displays, force fields, public servers for specific calculations, file formats, etc.
