Natural products are the single most important resource for drug leads. In a recent study published in the Journal of Chemical Information and Modeling, Ya Chen, Marina Garcia de Lomana, Nils-Ole Friedrich and Johannes Kirchmair...
In an Editorial published in Future Medicinal Chemistry, Conrad Stork and Johannes Kirchmair discuss computational methods that can assist in the identification and prediction of potential nuisance compounds, frequent hitters, promiscuous...
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.
