Structure and dynamics of different protein systems are investigated by means of molecular dynamics simulations, molecular docking and molecular modeling techniques. The study of a genetic mutation affecting protein HFE and causing Hemochromatosis disease, and the study of the behavior of SMN protein involved in Spinal Muscular Atrophy pathology are the more recent topics. Collagen assembly and dehydration, interaction of Myelin Basic Protein with membrane (with implication in Multiple Sclerosis disease), genetically encoded photosensitisers for singlet oxygen (with potential application in photodynamic therapy of cancer), are just a few other examples of the systems under study.