Book excerpt: This contributed volume applies the insights of supramolecular chemistry to biomedical applications such as ions/water transport through nano-scale channels, gene therapy, tissue engineering and drug delivery, to cite some of the major investigations.The challenge is to understand the mechanisms of transport through tissues particularly in the therapeutic treatment of a disease where the active drug must be delivered directly to diseased cells without affecting healthy cells. As a result, smaller quantities of active substances can be used to treat the disease. Another interest concerns new ways to administer gene therapy. If genes are often delivered to their target cells by adapted viruses, the supramolecular non-viral ‘vectors’ using dynamic nano-frameworks and nano-structures are presented. In addition, it is important to reconstruct damaged tissues by mimicking natural processes in cells and polymers, such as tissue engineering and self-healing. Different options are here discussed: e.g. hydrogels based on chitosan, a carbohydrate polymer, are proving especially promising for tissue engineering and drug delivery. For controlled delivery of drugs or other biologically active compounds, hydrogels sensitive to the most important stimuli in the human body, such as temperature, pH, ionic strength, glucose and biomolecules released by the organism in pathological conditions have been developed. Finally, to assist and validate the experimental studies, computer modelling and simulations of large-sized molecular structures and systems using different molecular dynamics and quantum mechanical techniques are developed based on the experimental and chemistry synthesis. This book is of great interest for graduate students, researchers and health professionals interested in acquiring a better understanding of the mechanisms of medical treatments. In addition, it provides numerous tools to develop better therapies for human diseases.