RDKit ist eine freie Softwarebibliothek, die im Bereich der Chemieinformatik sehr weit verbreitet ist. Die Nutzer des RDKits organisieren sich in...
InterACt ist ein neues Kooperationsprojekt unter Federführung des Heinrich-Pette-Instituts, Leibniz-Institut für experimentelle Virologie. Ziel von...
Machine Learning gained a lot of attention in many areas of research right now. Not surprisingly, this is also the case on Drug Discovery. In the...
DASHH - eine neue Graduiertenschule in Hamburg geht an den Start. DASHH steht für 'Data Science in Hamburg - Helmholtz Graduate School for the...
Conformator - A New Tool for a Key Problem in Drug Discovery
Early drug discovery usually relies on 3D modeling techniques like molecular docking or...
Fragment growing, already applied in the 1990'ties, is one of the oldest structure-based de novo design techniques. The broad application was usually...
Jochen Sieg, Absolvent des Masterstudiengangs Bioinformatik, wird für seine Abschlussarbeit im Bereich Chemieinformatik mit dem diesjährigen...
Giorgio Gonnella, Stefan Dang and Stefan Kurtz of the Genome Informatics research group of the ZBH are co-author of a new publication in Nucleic Acid...
Im Rahmen der Digitalisierungsstrategie der Helmholtz-Gemeinschaft werden fünf Graduiertenschulen im Bereich Data Science aufgebaut. Das Konsortium...
New publication:Hydrothermal chimneys host habitat-specific microbial communities: analogues for studying the possible impact of mining seafloor...
We present a new method for placing water molecules in crystal structures of proteins. The method is fast enough to be applied in high-throughput...
Natural products are the single most important resource for drug leads. In a recent study published in the Journal of Chemical Information and...
In an Editorial published in Future Medicinal Chemistry, Conrad Stork and Johannes Kirchmair discuss computational methods that can assist in the...
We are happy to announce the next release of our ProteinsPlus web server. One of the...
At the Noordwijkerhout ICCS conference, we presented one of our most recent developments...
Nils-Ole Friedrich, Méliné Simsir and Johannes Kirchmair from the Junior Research Group for Applied Cheminformatics and Molecular Design have...
Prof. Kirchmair has been appointed Visiting Professor at the University of Vienna, Department of Pharmacy. In the summer semester of 2018 he will be...
False-positive assay signals triggered by badly behaving compounds continue to pose a major challenge to experimental screening. A free web service...
Three-dimensional approaches in computer-aided molecular design such as ligand docking, pharmacophore modeling and 3D QSAR rely on the accurate...
X-ray crystallography is the backbone of modern, structure-based molecular drug design. While protein structures are easily accessible via the PDB and...
