From a Protein Name to a Druggability Estimation in just 4 Clicks
We are happy to announce the next release of our ProteinsPlus web server. One of the major achievements is its combination with the powerful text search capabilities from the...
Understanding Filter Pattern Collections with SMARTScompare
At the Noordwijkerhout ICCS conference, we presented one of our most recent developments, SMARTScompare. With an endeavor started about eight years ago, we now have a tool in hand...
Nils-Ole Friedrich, Méliné Simsir and Johannes Kirchmair from the Junior Research Group for Applied Cheminformatics and Molecular Design have conducted a comprehensive study of protein-bound conformations of drugs and drug-like molecules.
Prof. Kirchmair has been appointed Visiting Professor at the University of Vienna, Department of Pharmacy. In the summer semester of 2018 he will be giving lectures in pharmacoinformatics and medicinal chemistry.
False-positive assay signals triggered by badly behaving compounds continue to pose a major challenge to experimental screening. A free web service developed by scientists of the Kirchmair lab, called Hit Dexter, is able to identify such...
