EUROPIN Summer School on Drug Design – Vienna
September 14 – 19, 2025
Workshops
Please note: Our website is under construction and will therefore be updated regularly.
Inte:Ligand
LigandScout: Advanced Workflows for Molecular Design and Discovery
LigandScout is the most user-friendly, advanced design platform available for 3D-pharmacophore modeling and virtual screening. It seamlessly integrates our advanced pharmacophore and virtual screening (VS) technologies with molecular docking, dynamics, apo site and activity profiling tools to create an inspiring and productive experience. By providing excellent prediction quality with unprecedented speed, LigandScout successfully addresses challenges in early stage drug discovery.
KNIME® (Workshop presented by University of Vienna)
KNIME® is a workflow tool that can be used to automatize data analysis tasks. It provides several possibilities to read, modify, analyze, visualize and report data.
Workshop 1: For basic users
In this workshop, you will learn how KNIME® can be used for tasks involving small molecules. Specifically, you will learn how to read SDF files, calculate descriptors and fingerprints, perform a similarity search and visualize the results. While you will be able to follow with no previous knowledge of KNIME®, you will profit most if you are already familiar with the basics: https://www.knime.com/getting-started-guide.
Workshop 2: For advanced users
More information soon...
Contact us
If you have any questions regarding the EUROPIN Summer School on Drug Design, please don’t hesitate to contact us.
EUROPIN – a structured, highly interconnected training through research PhD program on the efficient and innovative use of information technologies and computational approaches in the drug discovery, design and development processes.
Organised by
Pharmacoinformatics Research Group
Following a holistic pharmacoinformatic approach we combine structural modeling of proteins, structure-based drug design, chemometric and in silico chemogenomic methods, statistical modeling and machine learning approaches to develop predictive computational systems for transporters and ion channels.
The validation and optimisation of the obtained in silico models by strong links to experimental groups is an integral part of these activities.