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8th Advanced in silico Drug Design workshop 2025

8ADD workshop (27.1.2025 – 31.1.2025) is focused on using in silico tools and approaches in drug design. We cover both structure-based drug design (molecular docking, molecular dynamics, structural bioinformatics tools) and ligand-based drug design (QSAR, pharmacophores, deep learning) with lectures and on-hand tutorials.

Invited Lecturers

prof. Thierry Langer (UniVie, Vienna), prof. Alexandre Varnek (Uni Strasbourg), prof. Hanoch Senderowicz (Bar-Ilan University), assoc. prof. Johannes Kirchmair (UniVie, Vienna), dr.  dr. Semen Yesylevskyy (IOCB Prague, IOP Kiev, KFC UPOL, Receptor.AI), dr. Federica Moraca (UNINA, Napoli), dr. Wim Dehaen (UCT Prague), dr. Martin Šícho (UCT Prague), dr. Martin Lepšík (IOCB Prague),  , dr. Thomas Evangelidis (AIffinity)

Local Organizers

doc. Karel Berka (KFC UPOL), dr. Pavel Polishchuk (IMTM UPOL), Guzel Minibaeva (IMTM UPOL), Aleksandra Ivanova (IMTM UPOL), dr. Václav Bazgier (KFC UPOL), Kateřina Storchmannová (KFC UPOL), Dominik Martinát (KFC UPOL), Anna Špačková (UPOL), Nina Kadášová (KFC UPOL)

Registration

The meeting will be in a hybrid format. Lectures and tutorial files will be available online, but the on-hand tutorials will be only on-site. 

Registration for online registration is still open HERE.

Attendance of the event is free of charge. The lecture room holds up to 30 seats.

Posters

Participants can present their research through an on-site poster session (for students, it is an Exam requirement). Registrations with poster presentations were prioritized.

Poster registration HERE.

Venue

Palacky University Olomouc (UPOL)

Faculty of Science

tř. 17. listopadu 12, Olomouc 77900, Czech Republic

room 3.002

 Directions to venue - to the Faculty of Science Palacky University Olomouc

Program

The meeting starts on Monday at noon and ends on Friday afternoon. 

A detailed final program is available here:

Course Materials

The language of the event is English. All course material will be available on this webpage. Videos will be available on a dedicated YouTube 8ADD playlist:

Monday

  • Drug design intro (Berka)
  • Structure sources (Berka)
  • Introduction to cheminformatics (Kirchmair)
  • Chemography concept in chemical exploration (Varnek)
  • Poster session

Tuesday

  • Alphafoldology (Berka)
  • QM in Drug Design (Lepšík)
  • AI in Drug design (Yesylevskyy)
  • Pharmacophores (Langer) + tutorial

Wednesday

  • Molecular docking (Moraca) + tutorial
  • Molecular dynamics (Moraca) + tutorial (Ivanova)
  • CFTR Modelling (Senderowitz)

Thursday

  • QSAR (Dehaen) + tutorial
  • De novo design (Šícho) + tutorial (Šícho + Polishchuk)
  • Multi-instance learning (Polishchuk)
  • Chemical space virtualization (Šícho)

Friday

  • No one left behind: Innovative drug discovery tools (Domling)
  • Drug Design using NMR (Evangelidis)
  • CACHE (Polishchuk)
  • AIMNet2: Foundation neural network potential for molecules, reactions, and CADD applications (Isaev)
  • SPHERE (Lžičař)

Other

Materials from previous workshops are available at

List of Registered On-Site Participants

Once you know you cannot arrive, please contact us at karel.berka@upol.cz so we can change you for online registration.

  1. M. Isabel Agea (MSD CZ)
  2. Carlo Apuzzo (U Federico II of Naples)
  3. Mária Bajnoková (Charles U Hradec Králové)
  4. Tomáš Basl (UCT Prague)
  5. Semanur Bulut (Gebze Tech U)
  6. Stefano Cimmino (U Federico II of Naples)
  7. Gizem Nur Duran (Gebze Tech U)
  8. Jozef Fülöp (UCT Prague)
  9. Gorkha Raj Giri (Tribhuvan U)
  10. Alladi Chaharanraj Goud (Palacky U Olomouc)
  11. Sami Ahmed Mohammed Ali Hamdoun (Monash U Malaysia)
  12. Parnia Jabbari (CNR Naples)
  13. Khem Raj Joshi (Pokhara U)
  14. Jan Kachnowicz (U Wrocław)
  15. Filip Kapral (UCT Prague)
  16. Lukáš Kerti (Comenius U Bratislava)
  17. Nguyen Tan Khanh (AIfinity)
  18. Petro Khoroshyy (IOCB Prague)
  19. Anastasiia Krokhina (U Strasbourg)
  20. Tereza Kubátová (U Vienna)
  21. Rajamanikkam Kamaraj (Charles U Hradec Králové)
  22. Natalia Mikłuszka (U Wrocław)
  23. Andrea Nedělníková (Palacky U Olomouc)
  24. Modupe Omoniyi (U Vermont)
  25. Elina Shaniiazova (Constructor U Bremen)
  26. Ekaterina Sosnina (U Vienna)
  27. Sergey Sosnin (U Vienna)
  28. Dinesh Kumar Sriramulu (Palacky U Olomouc)
  29. Vít Škrhák (Charles U Prague)
  30. Oliver Vaverka (G Hejčín Olomouc)
  31. Mariusz Zapadka (Collegium Medicum Rydygiera w Bydgoszczy)

Cost and Accommodation

There is no registration fee, also coffee breaks and partially workshop dinner is covered by our sponsors.

Accommodation is not provided by the organizers, but here are several places for consideration depending on your budget:

Accommodation and Dining Services of the Palacky University – https://skm.upol.cz/en/  

Long Story Short Hostel – http://www.longstoryshort.cz/  

Hotel Arigone – http://www.arigone.cz/en/  

and, of course, there is plenty of AirBnB places in “UNESCO jewel” city of Olomouc – https://www.airbnb.cz/s/Olomouc–%C4%8Cesk%C3%A1-republika 

If you have any questions, please send them to karel.berka@upol.cz 

Sponsors