News

Am 23. und 24. September 2019 fand ein de.NBI-Workshop zum Thema Proteinstrukturen statt...

Matthias Rarey wurde zum Vice-Chair 2021 / Chair 2023 der Gordon Research Conference on Computer-Aided Drug Design (GRC CADD) gewählt. Gordon...

Der Hauke Trinks-Preis wurde von dem NIT Northern Institute of Technology Management ausgerufen.
Dieser Preis wurde Marius Block für seine...

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...

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...

X-ray crystallography is the backbone of modern, structure-based molecular drug design. While protein structures are easily accessible via the PDB and...

ProteinsPlus is a web service established at the ZBH in 2016 and now part of denbi - the German Network for Bioinformatics Infrastructure. The web...

In this publication, an extensive evaluation of hydrogen bond interaction geometries within protein-ligand complexes is presented. Based on the vast...

In this publication, mutational effects in protein complexes are predicted using the HYDE scoring function. Additionally, an extensive evaluation...