The properties of biological materials have been the focal point of extensive studies over the past decades, leading to formation of an active research field that intimately connects biology, chemistry and materials science. The integration of predictive numerical studies with experimental methods represents a new frontier in materials research. By incorporating concepts from structural engineering, materials science and biology computational multiscale modelling has demonstrated the ability to investigate the core principles that link the fundamental atomistic-scale chemical structures to functional scales by understanding how biological materials achieve superior mechanical properties through the formation of hierarchical structures, via a merger of the concepts of structure and material. Particular emphasis will be provided to proteins which are fascinating molecular machines capable of organizing themselves into well-defined hierarchical structures through a huge number of conformational changes to accomplish a wide range of cellular functions. Misfolded states of proteins are closely related to a number of pathologies such as for example neurodegenerative diseases. The course offers a description about the state of the art of molecular biomechanics and modelling at the molecular, supramolecular and subcellular scale, in both academic research and industry starting from the theoretical basis of the presented approaches. Practical cases will be the objective of specific hands-on tutorials.