ONLINE EDITION

EUROPIN Summer School on Drug Design – Vienna

September 13 – 17, 2021

Workshops

Please click on the name in order to find more information about the workshop. More workshops are constantly being added.

BioSolveIT

Title to be announced

more information will follow

Chemical Computing Group

Title to be announced

more information will follow

Cresset Software

Title to be announced

more information will follow

Discngine

Title to be announced

more information will follow

Inte:Ligand

Title to be announced

more information will follow

KNIME

Build cheminformatics workflows with the open source KNIME Analytics Platform

KNIME is an open platform for the entire data science process: data access and transformation, visualization, predictive analytics, and reporting. With KNIME and its dedicated Cheminformatics Extensions you can choose from a wide range of cheminformatics functionality, which we will make use of in this workshop as well. This year we will organize two sessions: for beginners and for advanced users of KNIME Analytics Platform. In both sessions you will create your own interactive cheminformatics workflows that include reading, converting, visualizing and saving chemical data. In the advanced session we will offer several tasks for the group to choose from. The examples will include building components for interactive visualization, clustering molecules based on the fingerprint similarity, running a similarity search through a vendor catalog, and deploying a neural network for predictions. At the end of each session we will look at the possible solution. No prior KNIME knowledge is needed to participate in the beginner’s session. We expect though that you are a bit familiar with KNIME if you are joining the advanced session.

Summing up, in addition to learning some new stuff, you will walk out with a couple of workflows that you can continue to adapt, extend and use.

OpenEye

Title to be announced

more information will follow

Optibrium

Title to be announced

more information will follow

Schrödinger

Title to be announced

more information will follow


Contact us

If you have any questions regarding the EUROPIN Summer School on Drug Design, please don’t hesitate to contact us at summerschool@europin.at

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.

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