Structural Bioinformatics Group

Research

Research topics

Databases and Applications

Below you can find a collection of publicly available databases and applications developed in our group:

Webaccessible Databases and Applications

ProTox A web server for the in silico prediction of rodent oral toxicity
Cobweb A Java applet for network exploration and visualisation
PROMISCUOUS A database for network-based drug-repositioning
SuperSweet A database of sweetening agents
Fragment Store The home of molecular fragments
CancerResource A database of cancer-relevant proteins and compound interactions supported by experimental knowledge
SuperCyp A database on Cytochrome P450 enzymes
Superlooper A webserver predicting conformation of loops in membrane proteins
Voronoia A webserver analyzing packing in protein structures
mVOC A database of microbial volatile organic compounds
SuperScent A database of flavors and scents
SuperToxic A comprehensive database of toxic compounds
SuperSite A database of biotransformation of xenobiotics
Transformer A web accessible database providing a ligand centered view of the PDB (featuring, HSSP, LigSite, Binding Site Prediction and more)
Macromolecular interfaces [JAIL] A structure-based interface library for macromolecules (Protein-Protein, Protein-DNA)
Superimposé A webserver bringing together databases and algorithms for various problem cases in 3d structural superposition.
Indication prediction [Superpred] A webserver predicting medical indication and molecular targets of small compounds.
SuperTarget Enables in deep investigations into drug - target relationships.
Protein structures [Columba] 27000 structures from the PDB annotated by 12 other databases such as SCOP, KEGG, ENZYME,..
Ligands from the PDB [Superligands] 5000 small molecules from 70,000 protein-ligand complexes, with many conformers for 2D and 3D comparisons.
Known drug structures [Superdrug] 2500 known drugs with more than 100,000 conformers for 2D and 3D comparisons.
Natural products [Super Natural II] A database of natural products. It contains 325,508 natural compounds (NCs), including information about the corresponding 2D structures, physicochemical properties, predicted toxicity class and potential vendors.
Immunogenic compounds [SuperHapten]  7300 haptens, 450 commercially available related antibodies and 24 carriers
Peptido mimetics [Supermimic] Build proteins with peptidomimetica
Withdrawn drugs [WITHDRAWN] A resource for withdrawn and discontinued drugs

Standalone Software and Projects

lrrr lrrr is a method that determines binding sites of small compounds (ligands) on the surface of proteins.
suiteRNA Using suffixtrees or arrays and an alphanumerical 3D representation for structural elucidation of RNA.
Surface scan [Superficial] scan the surface of proteins, find binding sites etc.