Molecular dynamics can be used to simulate the time evolution of
microscopic system. Biological systems like DNA, lipid membranes and,
most importantly, proteins have been intensively studied using these
techniques. The various steps involved in molecular dynamics
simulations of proteins will be presented, together with their
applications to biological phenomenon. In particular, results of
simulations performed on important proteins of the immune system will
be given and how these data can be used to optimize cancer treatment
will be shown.