TY - THES AB - Conformational analysis by NMR spectroscopy and molecular dynamics simulations (MD) is one of the most important techniques for high resolution structure analysis in chemistry and biochemistry. In the frame of this thesis, a torsion angle based clustering procedure forms the basis of an enhanced methodology for conformational analysis by NMR and MD, the advantage of which is shown by comparison with prior procedures. The determination of the structures of glycomimetic cyclic hexapeptides contributes to understanding the basis of the mimicry of the L2/HNK1 epitope, a carbohydrate structure with several important functions, in particular in the peripheral nervous system. The structures of cyclic penta- and hexapapetides show the influence of the incorporated beta-homoamino acids on the structures of the peptides: A distinct preference for the central position of a pseudo-gamma-turn makes beta-homoamino acids suitable for the use as gamma-turn mimetics in rational peptide design. DA - 2006 KW - Konformationsanalyse KW - Cluster-Analyse KW - Diederwinkel KW - Cyclopeptide KW - Aminosäuren (beta-) KW - Conformational analysis KW - Cluster analysis KW - Dihedral angle KW - Cyclic peptides KW - Beta-amino acids LA - ger PY - 2006 TI - Effiziente Konformationsanalyse von Peptiden UR - https://nbn-resolving.org/urn:nbn:de:hbz:361-8915 Y2 - 2024-11-21T22:38:56 ER -