ONLINE EDITION

EUROPIN Summer School on Drug Design – Vienna

September 13 – 17, 2021

Program

Status: DRAFT

The following information is subject to change. The final program is still under construction! Last update: June 18, 2021

Please find the agenda of the Summer School on Drug Design 2021 in Vienna underneath. All times on this program are in the local time zone! Please see Timezone Information for guidance.

Since we will unfortunately not be able to personally welcome our participants in Vienna this year, there will be a virtual city tour through Vienna as a special extra. The program will of course also contain breaks and socializing events - read more at Organisation.

Monday, September 13
08:15 - 08:30 Welcome
08:30 - 09:00 Langer Title to be announced
09:00 - 09:30 Boresch Setting up MD Simulations of Biomolecules
09:30 - 10:00
10:00 - 10:30 Coffee Break
10:30 - 11:00
11:00 - 11:30
11:30 - 12:00 Gastreich Title to be announced
12:00 - 12:30
12:30 - 13:30 Lunch Break
13:30 - 15:00 Workshops BioSolveIT (beginners)
15:00 - 15:30 Coffee Break
15:30 - 17:00 Workshops BioSolveIT (advanced)
17:00 - 17:30 Break
17:30
Tuesday, September 14
08:30 - 09:00 Ecker Title to be announced
09:00 - 09:30
09:30 - 10:00 Kirchmair In silico prediction of drug metabolism
10:00 - 10:30 Coffee Break
10:30 - 11:00
11:00 - 11:30 Jäger
11:30 - 12:00 Stahl Virtual Screening - From small to LARGE scale - from local to the cloud
12:00 - 12:30
12:30 - 13:30 Lunch Break
13:30 - 15:00 Workshops OpenEye
15:00 - 15:30 Coffee Break
15:30 - 17:00 Workshops OpenEye
17:00 - 17:30 Break
17:30 - 19:00 Career Talk Panel discussion with: Montanari, Rabal, Schütz, Hillisch, Türková, Ernst
Wednesday, September 15
08:30 - 09:00 Ernst Homology modeling in the gray zone of low sequence similarity
09:00 - 09:30 Sippl Protein-protein docking studies to analyze target degradation by proteolysis targeting chimera (PROTAC)
09:30 - 10:00 Wolber Title to be announced
10:00 - 10:30 Coffee Break
10:30 - 11:00 Zdrazil Deciphering the molecular basis of ligand-recognition and selectivity in hepatic Organic Anion Transporting Polypeptides
11:00 - 11:30
11:30 - 12:00 Bryant De-Risking Compound Structures for Neurotoxicity: The NeuroDeRisk Inte:Ligand Profiler
12:00 - 12:30 Kossner MOEsaic: Guiding Multi-Parameter Optimization in Ligand-Based Design
12:30 - 13:30 Lunch Break
13:30 - 15:00 Workshops CCG / LigandScout (beginner) / Pharmacelera 1
15:00 - 15:30 Coffee Break
15:30 - 17:00 Workshops LigandScout (advanced) / Pharmacelera
17:00 - 17:30 Break
17:30 - 19:00 Career Talk Panel discussion with: Montanari, Rabal, Schütz, Hillisch, Türková, Ernst
Thursday, September 16
08:30 - 09:00 Janežič Protein Binding Sites Tools for Innovative Drug Design
09:00 - 09:30 Hillisch Title to be announced
09:30 - 10:00 Colas Title to be announced
10:00 - 10:30 Coffee Break
10:30 - 11:00 Montanari Title to be announced
11:30 - 12:00 Firth-Clark Title to be announced
12:00 - 12:30 Zara Learn how to navigate the vast and rich protein structural space
12:30 - 13:30 Lunch Break
13:30 - 15:00 Workshops Cresset (beginner) / Discngine 1
15:00 - 15:30 Coffee Break
15:30 - 17:00 Workshops Cresset (advanced) / Discngine 2
17:00 - 17:30 Break
17:30 Poster Session
Friday, September 17
08:30 - 09:00
09:00 - 09:30 Schleifer Title to be announced
09:30 - 10:00 Hessler Computational Design of macrocyclic compounds
10:00 - 10:30 Coffee Break
10:30 - 11:00
11:30 - 12:00
12:00 - 12:15 Closing
12:15 - 13:30 Lunch Break
13:30 EUROPIN Meeting Closed Session
Timezone Information

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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