The interaction between the T cell receptor, peptide and MHC can be considered to be the heartbeat of immunology. This study combines data from immunology and methods from information technology in order to provide new insights into the TCRpMHC interaction, where the focus is placed on the binding between the MHC binding groove and the presented peptide. In Chapter 1 a general introduction to the basic terminology used in the following chapters is given. In Chapter 2 a study about threading peptides into the MHC binding groove is presented.
Chapter 3 is directly based on the Results in Chapter 2 and shows how to predict the binding affinity between the MHC and the peptide. In Chapter 4 two different peptides with identical core sequences are evaluated via Molecular Dynamics, based on the results presented in Chapter 2 and Chapter 3. In Chapter 5 the results of all previous chapters are combined and used to predict peptides binding to MHC by means of a Genetic Algorithm. In the final chapter (Chapter 6) a general conclusion covering the topics of the previous chapters is presented. Abstracts introducing the content of the individual chapters are available in the respective chapters.