Volkamer lab attends the German Conference on Cheminformatics

We attended this year’s German Conference on Cheminformatics in November held in Bad Soden am Taunus. We were happy to present our work on multiple posters:

• Floriane Odje: Morphological data analysis: From descriptor development to predictive modelling
• Afnan Sultan: Domain adaptation as a computationally efficient approach for improving transformer models for molecular property prediction
• Yanyuan Zhang: Read-Across the Targetome – An integrated structure- and ligand-based workbench for computational design of novel tool compounds
• Hamza Ibrahim: MolDockLab: Data-driven workflow for best balanced consensus docking pipeline for hit identification
• Paula Kramer: Active learning for fragment-based kinase inhibitor design using docking
• Michael Backenköhler: Structural activity prediction models recover known kinase binding modes
• Katharina Buchthal: Novel kinase ligand generation using subpocket-based docking
• Erika Primavera: Why is Miransertib effective against the AKT1-E17K mutation?

Antoine Lacour was accepted for a research talk where he presented his research on “DockM8: All-in-one open-source platform for consensus virtual drug screening”. We are happy to announce that Paula won the GCC poster award and Michael received an honorable mention for his poster.

It was great to listen to so many inspiring talks and connect to experts in the field. We enjoyed the trip together as a big group!