Research

Algorithmic Cheminformatics: under construction

International Collaborations (far from complete)

Department Univeristy Country Main Collaborator
Department of Systems Biology, Harvard Medical School, Fontana Lab Harvard University US Walter Fontana
Theoretical Biochemistry Group, Institute for Theoretical Chemistry University of Vienna Austria Christoph Flamm
Professur für Bioinformatik, Institut für Informatik Universität Leipzig Germany Peter Stadler
Junior Professor for Biomathematics and Computer Science Universität Greifswald Germany Marc Hellmuth

Software

Tool Short Description
MØD MØD is a software package developed for graph-based cheminformatics. It includes a general graph transformation system for automatically generating reaction networks from graph grammar formulations of chemistries.
TreeREx Inferring Mitochondrial Genome Rearrangements in a Phylogenetic Tree
CREx Common Interval Rearrangement Explorer
CoRePA A tool for the reconstruction of cophylogenies
Tarzan Another tool for the reconstruction of cophylogenies