Disputation von Adrian Kolodzik am 31.10.2014, 14:30 Uhr, ZBH Raum 16
31. Oktober 2014, von Reinhard Zierke
Foto: Fachschaft Informatik
Einladung zur hochschulöffentlichen Disputation
von Herrn Adrian Kolodzik:“In silico modeling of small molecules and design of elF-5A activation inhibitors”
Einladung zur hochschulöffentlichen Disputation
von Herrn Adrian Kolodzik
Freitag, 31. Oktober 2014 um 14:00 Uhr
im Zentrum für Bioinformatik, Bundesstraße 43, Raum 16
“In silico modeling of small molecules and design of elF-5A activation inhibitors”
Abstract:
Cheminformatics applications require a consistent handling of molecular file formats and different molecular states, such as prototropic tautomers. The newly developed software library NAOMI meets these challenges and introduces unique ring families (URFs). URFs represent the first unique and intuitive description of molecular ring topologies and can be calculated efficiently in polynomial time. Using NAOMI in combination with a number of virtual screening tools, two inhibitors of human deoxyhypusine synthase have been designed, which show inhibition of HIV replication in cell culture.
Prof. Dr. Matthias Rarey
(Vorsitzender des Fach-Promotionsausschusses Informatik)