Virtual compound screening and SAR analysis [Elektronische Ressource] : method development and practical applications in the design of new serine and cysteine protease inhibitors / vorgelegt von Mihiret Tekeste Sisay

Virtual compound screening and SAR analysis: method development and practical applications in the design of new serine and cysteine protease inhibitors Dissertation zur Erlangung des Doktorgrades (Dr. rer. nat.) der Mathematisch-Naturwissenschaftlichen Fakultät der Rheinischen Friedrich-Wilhelms-Universität Bonn vorgelegt von Mihiret Tekeste Sisay aus Worka/Äthiopien Bonn June 2010 Angefertigt mit Genehmigung der MathematischNaturwissenschaftlichen Fakultät der Rheinischen FriedrichWilhelmsUniversität Bonn 1. Referent: Univ.Prof. Dr. rer. nat. Jürgen Bajorath 2. Referent: Univ.Prof. Dr. rer. nat. Michael Gütschow Tag der Promotion: 01.10.2010 Acknowledgments I would like to express my deepest gratitude and appreciation to my supervisors Prof. Dr. Michael Gütschow and Prof. Dr. Jürgen Bajorath, for their continued guidance, encouragement and support both in my scientific and personal life throughout the course of this work. I am especially indebted to all my colleges and colleges of my supervisors with whom I had successful scientific collaborations especially to Prof. Dr. G. König, Prof. Dr. T. Steinmetzer, Prof. Dr. S. Fustero, Dr. L. Peltason, Dr. M. Stirnberg, Dr. D. Stumpfe, L. Tan, T. J. Crisman, M. Frizler, E. Maurer and S. Hauptmann. I am also grateful to Dr. P. W. Elsinghorst, Dr. H.G. Häcker and Dr. J.