A structured, highly interconnected training-by-research PhD program on the efficient and innovative use of information technologies and computational approaches in drug discovery, design and development

About EUROPIN

Pharmaceutical imaging, pharmacogenomics, pharmacoepigenetics and individualised medicines as well as artificial intelligence represent challenging topics for drug design and discovery. International competitive research activities in these fields need optimised computational tools for data mining, data management and transformation of data to knowledge. This prompted a group of scientists to establish 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. Initially supported by a grant from ERASMUS-Mundus, the EUROPIN PhD Program started on Oct 1st, 2009, at 7 European Universities. The curriculum addresses the field of knowledge management, one of the main bottlenecks identified in the drug discovery and development process.

It offers a comprehensive training schedule that allows the PhD students to communicate with - and learn from - a broad panel of experts in the field. Embedded in a pan-European framework in the field of Pharmacoinformatics, our students receive strong competences in all aspects of computational methods necessary for successful application in Pharmacy and Health Sciences. Within summer schools and workshops, experts from pharmaceutical industry and SMEs are invited to present their needs and the current state of the art in the field. Training in enabling skills, such as fund raising, project management, and entrepreneurial spirit, completes the program. Quality assurance and continuous evaluation by an external advisory board from Industry assures a dedicated and top level program.

Partner Universities

The EUROPIN Partner Universities and Principal Investigators.

University of Vienna, Austria

Prof. Gerhard Ecker
Prof. Johannes Kirchmair

Freie Universität Berlin, Germany

Prof. Gerhard Wolber

University of Parma,
Italy

Prof. Marco Mor
Prof. Gabriele Costantino

Gdansk University of Technology, Poland

Prof. Maciej Baginski

University of Perugia,
Italy

Prof. Antonio Macchiarulo

University Pompeu Fabra, Barcelona, Spain

Prof. Manuel Pastor
Prof. Ferran Sanz

University of Münster, Germany

Prof. Marcel Bermùdez

Saarland University, Germany

Prof. Andrea Volkamer

Scientific Advisors

Leading industrial experts in computational drug discovery evaluate our students at retreats and summer schools. Our Scientific Advisory Board members are:

  • Prof. Dr. Alexander Hillisch, UCB Pharma
  • Prof. Dr. Klaus-Jürgen Schleifer, BASF
  • Dr. Gerhard Hessler, Sanofi
  • Dr. Anders Hogner, Astra Zeneca
  • Dr. Daniele Pala, Chiesi Farmaceutici

Supported by:

Active Students and Applicants in 2023

  • Kristina Puls, Freie Universität Berlin
  • Aljoša Smajić, University of Vienna
  • Jiahui Huang, University of Vienna
  • Theresa Noonan, Freie Universität Berlin
  • Gian Marco Elisi, University of Parma
  • Nejra Granulo, University of Vienna
  • Clemens Alexander Wolf, Freie Universität Berlin
  • Francesca Galvani, University of Parma
  • Carlo Bigiotti, University of Perugia
  • Valerij Talagayev, Freie Universität Berlin
  • Abir Omran, University of Vienna
  • Friederike Wunsch, University of Münster
  • Johannes Jokiel, University of Münster
  • Zeenat Zara, Technical University Munich
  • Roxane Jacob, University of Vienna
  • Palle Steen Helmke, University of Vienna
  • Karin Grillberger, University of Vienna
  • Vincent-Alexander Scholz, University of Vienna
  • Julia Kandler, University of Vienna
  • Hosein Fooladi University of Vienna
  • Thi Ngoc Lan Vu, University of Vienna
  • Huanni Zhang, University of Vienna
  • Floriane Odje, Saarland University
  • Paula Kramer Saarland University

Alumni

  • Dr. Daniela Dolciami, BenevolentAI
  • Dr. Floriane Montanari, Bayer AG
  • Dr. Eva Hellsberg, National Instiutte of Healtth
  • Dr. Jennifer Hemmerich, BASF
  • Dr. Stefanie Kickinger, University of Copenhagen
  • Dr. Chiara Luise, University of Dundee
  • Dr. Christin Rakers, Merck Group
(list completion in progress)

Events

EUROPIN is actively supported by Prof. Gerhard Ecker by integrating talk from EUROPIN students and applicants into his EUROPIN Summer School on Drug Design in Vienna taking place every second year. In the years in between, a EUROPIN retreat is organized as separate event.

Upcoming event: Retreat 2023

The EUROPIN retreat 2023 will take place during the EUROPIN Summer School on Drug Design 2023 from September 10-15, 2023. Eight senior EUROPIN student talks were selected to be part of the main program. The dedicated EUROPIN session will take place on September 15, 2023.

The EUROPIN dinner will be sponsored by:

Evolvus

Scheduled talks:

Kristina Puls, Freie Universität Berlin
Design of G-protein Biased Modulators of the Kappa Opioid Receptor
Aljoša Smajić, University of Vienna
Identifying Differences in the Performance of Machine Learning Models for off-Targets trained on publicly available and proprietary datasets
Jiahui Huang, University of Vienna
Empower the BERT with mutation data for clinical pathogenicity prediction
Theresa Noonan, Freie Universität Berlin
A novel antibiotic target: Identifying bacterial ribosomal assembly inhibitors via 3D pharmacophore-based virtual screening
Gian Marco Elisi, University of Parma
Metadynamics simulations rationalize the enantioselectivity of melatonin receptor agonists with tetrahydroquinoline scaffold
Nejra Granulo, University of Vienna
Macrocycles as ligands for attractive drug targets
Clemens Alexander Wolf, Freie Universität Berlin
In silico exploration of novel CYP4A11 inhibitors
Francesca Galvani, University of Parma
Multiscale simulations for the design of new MGL inhibitors
Carlo Bigiotti, University of Perugia
Design of a Screening Campaign for Small Molecule Modulators of DDAH-1 and -2 Activity: Recent Advances and Next Steps
Valerij Talagayev, Freie Universität Berlin
"Discovery, Optimization and Exploration of Toll like receptor 8 Antagonists
Abir Omran, University of Vienna
Analysing the Adverse Effects of Therapeutic Monoclonal Antibodies
Friederike Wunsch, University of Münster
Subtle binding site differences control specific GPCR functions
Johannes Jokiel, University of Münster
Understanding natural variants of drug targets and their consequences for drug action
Zeenat Zara, Technical University Munich
Modeling and simulations of 5-hydroxytryptamine receptor type 7 (5-HT7R) in complex with Gs protein
Roxane Jacob, University of Vienna
Deep Learning Methods for Predicting Small-Molecule Metabolism
Palle Steen Helmke, University of Vienna
KNIME workflows for cmpd/target prediction with consensus scoring and cmpd/target/pathway interaction fingerprinting
Karin Grillberger, University of Vienna
A structure-based view on molecular initiating events (MIEs)
Vincent-Alexander Scholz, University of Vienna
Development of machine learning approaches for biodegredation prediction
Hosein Fooladi, University of Vienna
Few-shot learning in molecular property and activity prediction
Thi Ngoc Lan Vu, University of Vienna
Development and application of computational approaches for target prediction
Huanni Zhang, University of Vienna
Development and application of computational methods for predicting cytochrome P450 metabolism
Floriane Odje, Saarland University
ML/DL for activity prediction using morphological fingerprints
Paula Kramer, Saarland University
GNNs for subpocket-aware ligand generation in kinases
Julia Kandler, University of Vienna
Investigation of molecular initiating events leading to developmental neurotoxicity with a particular focus on altered thyroid function
Niklas Döring, Freie Universität Berlin
Targeting RNA structural factors for the development of novel antibiotics

Last event: Retreat 2022 (October 6&7, Frankfurt)

This event was supported by:


Scheduled talks:

Theresa Noonan, FU Berlin
Targeting ribosomal assembly as a novel antibiotic approach
Aljoša Smajić, University of Vienna
Machine learning approaches for toxicity predictions
Kristina Puls, FU Berlin
G-protein biased modulators of the kappa opioid receptor
Friederike Wunsch, University of Münster
Mechanistic elucidation of functionally specific natural products targeting GPCRs
Gian Marco Elisi, University of Parma
Free-energy simulations on melatonin receptors ligands
Nejra Granulo, University of Vienna
Macrocyclic landscape of SLC transporters
Alexander Wolf, FU Berlin
A novel approach for the design of SHP2 inhibitors
Abir Omran, University of Vienna
Toxicity predictions of biological drugs
Francesca Galvani, University of Parma
Multiscale simulations for the design of new MGL inhibitors
Johannes Jokiel, University of Münster
Understanding natural variants of drug targets and their consequences for drug action
Jiahui Huang, University of Vienna
Structure landscape analysis and functional mapping of disease-relevant mutations on SLC transporters
Valerij Talagayev, FU Berlin
An innovative approach of Toll-like receptor dynamics exploitation for structure optimization through 3D pharmacophore analysis
Carlo Bigiotti, University of Perugia
Design of an integrated computational and biophysical screening campaign for Dimethylarginine Dimethylaminohydrolases modulators